SCHEMBL7346245

SCHEMBL7346245

COc1cc(C(=O)N2CCN(C)Cc3ccccc32)ccc1NC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.58
AVPR1A P37288 7/20 0.58
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ROCK2 O75116 1/20 0.46
AVPR1B P47901 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL7351705 0.84 AVPR2 (0.52) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL7383366 0.83 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL7019383 0.79 PDE4A (0.55) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7352132 0.78 PDE4A (0.57) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7023524 0.78 PDE4A (0.56) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7352577 0.77 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL7355568 0.76 ACHE (0.54) AVPR2AVPR1A
SCHEMBL7355406 0.76 AVPR2 (0.57) AVPR2AVPR1ASMN1; SMN2
SCHEMBL7348484 0.75 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8315535 0.74 AVPR2 (1.00) AVPR2AVPR1A

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