SCHEMBL7348971

SCHEMBL7348971

CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.48
AVPR2 P30518 2/20 0.47
AVPR1A P37288 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL7351282 0.93 HPGD (0.57) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL6968459 0.85 BCHE (0.56) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL7352388 0.84 ALDH1A1 (0.69) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL7355012 0.83 BCHE (0.49) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL7352814 0.83 AVPR2 (0.68) HPGDKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6959618 0.83 AVPR2 (0.68) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL7351070 0.82 AVPR2 (0.67) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL7346571 0.81 KMT2A (0.49) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL7343719 0.81 HPGD (0.51) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL7350202 0.81 KMT2A (0.51) HPGDMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed