SCHEMBL7345440

SCHEMBL7345440

Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)cc2)c1C

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.86
AVPR2 P30518 2/20 0.86
OXTR P30559 2/20 0.86
AVPR1B P47901 1/20 0.63

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
SCHEMBL7348365 0.99 AVPR1A (0.85) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7351861 0.97 AVPR2 (0.81) AVPR1AAVPR2OXTR
SCHEMBL7351118 0.93 AVPR1A (1.00) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7343665 0.92 AVPR1A (0.98) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7351740 0.89 AVPR2 (0.94) AVPR1AAVPR2OXTR
SCHEMBL7346257 0.89 AVPR1A (0.80) AVPR1AAVPR2OXTR
SCHEMBL8559866 0.87 AVPR2 (0.65) AVPR1AAVPR2OXTR
SCHEMBL6970320 0.86 AVPR2 (0.76) AVPR1AAVPR2OXTR
SCHEMBL8557460 0.86 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL6971391 0.86 AVPR2 (0.79) AVPR1AAVPR2OXTR

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
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed