SCHEMBL7350595

SCHEMBL7350595

O=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
AVPR2 P30518 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.46
MGLL Q99685 1/20 0.46
POLB P06746 2/20 0.44
AVPR1A P37288 1/20 0.44
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7352139 0.97 AVPR2 (0.52) PGRHDAC1HDAC6AVPR2MEN1
SCHEMBL7349035 0.91 PGR (0.50) PGRHDAC1HDAC6AVPR2MEN1
SCHEMBL7346895 0.86 ALDH1A1 (0.49) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL7346878 0.86 ALDH1A1 (0.49) AVPR2MEN1KMT2AMAPTPOLB
SCHEMBL1291539 0.86 AVPR2 (0.50) AVPR2MEN1KMT2AMAPTAVPR1A
SCHEMBL30824950 0.86 AVPR2 (0.50) AVPR2MEN1KMT2AMAPTAVPR1A
SCHEMBL7352564 0.86 AVPR2 (0.47) AVPR2MEN1KMT2AMAPTHTT
SCHEMBL8827616 0.84 HDAC1 (0.43) PGRHDAC1HDAC6AVPR2MEN1
SCHEMBL7351409 0.84 AVPR2 (0.47) AVPR2MEN1KMT2AMAPTPOLB
SCHEMBL7344427 0.84 CA1 (0.54) MEN1KMT2AMAPTPOLBHTT

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