SCHEMBL7352139

SCHEMBL7352139

O=C1CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.52
AVPR1A P37288 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
PGR P06401 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.46
MGLL Q99685 1/20 0.45
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
F10 P00742 1/20 0.43
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.43
CRHBP P24387 1/20 0.43
OPRK1 P41145 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL7350595 0.97 PGR (0.50) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL7349035 0.88 PGR (0.50) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL7355229 0.86 AVPR2 (0.52) AVPR2MEN1KMT2AMAPTHTT
SCHEMBL7345718 0.84 ALDH1A1 (0.49) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL7345214 0.84 AVPR2 (0.56) AVPR2AVPR1AHDAC1HDAC6F10
SCHEMBL7346878 0.83 ALDH1A1 (0.49) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL7346895 0.83 ALDH1A1 (0.49) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL30824950 0.83 AVPR2 (0.50) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL1291539 0.83 AVPR2 (0.50) AVPR2AVPR1AMEN1KMT2AMAPT
SCHEMBL7352564 0.83 AVPR2 (0.47) AVPR2MEN1KMT2AMAPTHTT

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 5 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
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed