SCHEMBL7347271

SCHEMBL7347271

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCSc3ccccc32)cc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.88
AVPR2 P30518 7/20 0.88
OXTR P30559 1/20 0.64

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
SCHEMBL7347384 0.94 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL7351779 0.83 AVPR2 (0.71) AVPR1AAVPR2OXTR
SCHEMBL7347158 0.81 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL8559251 0.81 AVPR2 (0.68) AVPR1AAVPR2OXTR
SCHEMBL7345796 0.80 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL7352772 0.79 AVPR1A (0.82) AVPR1AAVPR2OXTR
SCHEMBL7351740 0.79 AVPR2 (0.94) AVPR1AAVPR2OXTR
SCHEMBL7366451 0.79 AVPR1A (0.74) AVPR1AAVPR2OXTR
SCHEMBL7351118 0.78 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL8556989 0.77 AVPR1A (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048484-C A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 2000-01-19 CN disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 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
CN-1027505-C Process for preparing benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1995-01-25 CN 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