SCHEMBL7344987

SCHEMBL7344987

Cc1ccccc1NC(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.65
OXTR P30559 1/20 0.65
AVPR1A P37288 1/20 0.65

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
SCHEMBL7344881 0.84 AVPR1A (0.72) AVPR2OXTRAVPR1A
SCHEMBL7345982 0.82 RAB9A (0.78)
SCHEMBL7351740 0.82 AVPR2 (0.94) AVPR2OXTRAVPR1A
SCHEMBL8562633 0.81 AVPR2 (0.55) AVPR2OXTRAVPR1A
SCHEMBL3456488 0.81 HPGD (0.83) AVPR2OXTRAVPR1A
SCHEMBL7347848 0.81 RAB9A (0.72)
SCHEMBL8712389 0.81 AVPR2 (0.76) AVPR2OXTRAVPR1A
SCHEMBL7355637 0.81 AVPR1A (0.77) AVPR2OXTRAVPR1A
SCHEMBL7359695 0.80 AVPR1A (0.67) AVPR1A
SCHEMBL7351861 0.79 AVPR2 (0.81) AVPR2OXTRAVPR1A

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