SCHEMBL7349014

SCHEMBL7349014

C=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.70
AVPR2 P30518 9/20 0.70
OXTR P30559 1/20 0.70
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
SCHEMBL6991132 0.90 AVPR1A (0.72) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7354594 0.86 AVPR1A (0.67) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7354596 0.86 AVPR1A (0.67) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7346748 0.85 AVPR2 (0.56) AVPR1AAVPR2OXTR
SCHEMBL7351740 0.85 AVPR2 (0.94) AVPR1AAVPR2OXTR
SCHEMBL6967016 0.84 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL9577582 0.84 AVPR1A (0.64) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9577579 0.84 AVPR1A (0.64) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9577572 0.84 AVPR1A (0.64) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8556989 0.83 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 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