SCHEMBL7347485

SCHEMBL7347485

O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.62
LMNA P02545 1/20 0.62
AVPR2 P30518 2/20 0.62
OXTR P30559 2/20 0.62

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
SCHEMBL7351156 0.86 AVPR1A (0.67) AVPR1AAVPR2OXTR
SCHEMBL7348778 0.85 AVPR1A (0.76) AVPR1AAVPR2OXTR
SCHEMBL6992930 0.85 AVPR1A (0.63) AVPR1ALMNA
SCHEMBL7353086 0.85 AVPR1A (0.66) AVPR1AAVPR2OXTR
SCHEMBL7346456 0.85 AVPR1A (0.66) AVPR1AAVPR2OXTR
SCHEMBL7349166 0.84 AVPR1A (0.74) AVPR1AAVPR2OXTR
SCHEMBL7348119 0.84 RAB9A (0.64)
SCHEMBL8560986 0.83 LMNA (0.56) AVPR1ALMNAAVPR2
SCHEMBL7352763 0.83 RAB9A (0.65)
SCHEMBL7353560 0.82 TSHR (0.72) AVPR1ALMNAAVPR2OXTR

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