SCHEMBL4384277

SCHEMBL4384277

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SLC6A4 P31645 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 2/20 0.48
ACHE P22303 2/20 0.48
CACNB4 O00305 1/20 0.48
CACNA1A O00555 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNG3 O60359 1/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1H O95180 1/20 0.48
BCHE P06276 1/20 0.48
CACNB3 P54284 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNG7 P62955 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNB1 Q02641 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6956520 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL10746185 0.95 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL6960006 0.91 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL6960011 0.91 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL8881889 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL7421872 0.88 MAPT (0.63) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL6956135 0.88 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL9452419 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL9452272 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2
SCHEMBL6949614 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASLC6A4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016097-A1 1,4-DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. (US) 2022-01-20 US claimed
US-11135208-B2 1,4-dihydropyridine compositions, methods of making and use AMERICAN REGENT, INC. (US) 2021-10-05 US claimed
US-20210046062-A1 1,4-DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. 2021-02-18 US claimed
WO-2021030343-A1 1,4 DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. (US) 2021-02-18 WO claimed
EP-2114883-A1 PROCESS FOR PREPARING LERCANIDIPINE HYDROCHLORIDE Dongwoo Syntech Co., Ltd (KR) 2009-11-11 EP claimed
WO-2008082041-A1 PROCESS FOR PREPARING LERCANIDIPINE HYDROCHLORIDE DONGWOO SYNTECH CO., LTD (KR) 2008-07-10 WO claimed
EP-1432683-A1 NOVEL CRYSTALLINE POLYMORPHIC FORMS OF LERCANIDIPINE HYDROCHLORIDE AND PROCESSES FOR THEIR PREPARATION Recordati Ireland Limited (IE) 2004-06-30 EP claimed
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed
WO-2003014084-A1 NOVEL CRYSTALLINE POLYMORPHIC FORMS OF LERCANIDIPINE HYDROCHLORIDE AND PROCESS FOR THEIR PREPARATION RECORDATI IRELAND LIMITED (IE) 2003-02-20 WO claimed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP claimed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO claimed
US-20220016097-A1 1,4-DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. (US) 2022-01-20 US disclosed
US-11135208-B2 1,4-dihydropyridine compositions, methods of making and use AMERICAN REGENT, INC. (US) 2021-10-05 US disclosed
US-20210046062-A1 1,4-DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. 2021-02-18 US disclosed
WO-2021030343-A1 1,4 DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. (US) 2021-02-18 WO disclosed
WO-1996035420-A1 USE OF(S)-ENANTIOMERS OF 1,4-DIHYDROPYRIDINE DERIVATIVES FOR TREATING HEART FAILURE RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1996-11-14 WO disclosed
US-4705794-A Ischaemia or hypoxia controlling compositions containing pyridinecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4497821-A Medicaments having antihypoxic and ischaemia-protective activity BAYER AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO disclosed