SCHEMBL7433455

SCHEMBL7433455

COc1cc(CC(=O)N2CCNCC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP2C9 P11712 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.48
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL18257816 0.88 KMT2A (0.73) KMT2ASMN1; SMN2LMNAHTTMEN1
SCHEMBL10771524 0.87 KDM4E (0.63) KMT2APKMSMN1; SMN2MEN1KDM4E
SCHEMBL20327274 0.87 KMT2A (0.76) KMT2ASMN1; SMN2LMNAHTTMEN1
SCHEMBL8307799 0.85 KMT2A (0.59) KMT2ASMN1; SMN2LMNAHTTMEN1
SCHEMBL5061283 0.82 TPSAB1 (0.57) KMT2APKMSMN1; SMN2CYP2C9HSD17B10
SCHEMBL8609160 0.82 GAA (0.49) KMT2APKMSMN1; SMN2HTT
SCHEMBL6481645 0.79 PKM (0.82) PKMSMN1; SMN2LMNAHTTKDM4E
SCHEMBL23244269 0.78 GFER (0.64) KMT2AHTTMEN1KDM4EHSD17B10
SCHEMBL8608693 0.78 GAA (0.46) KMT2APKMSMN1; SMN2HTTPOLB
SCHEMBL10287708 0.78 HTT (0.54) KMT2APKMSMN1; SMN2HTTMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
EP-0823906-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-02-18 EP disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed
WO-1996034864-A1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-11-07 WO disclosed
US-5015642-A Benzothiazinone oxides, processes for their preparation, medicaments containing them and the use thereof, and intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
EP-0212481-B1 INDOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-12 EP disclosed
US-4952598-A CALCIUM ANTAGONISTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
US-4882329-A CALCIUM CHANNEL BLOCKERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-21 US disclosed
EP-0303180-A1 Benzothiazinone-oxides, processes for their preparation, medicaments containing them, and their use, as well as intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP disclosed
EP-0244723-A2 Benzothiazinone derivatives, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-11 EP disclosed
EP-0212481-A1 Indolinone derivatives, processes for their preparation, pharmaceutical compounds containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed