SCHEMBL7348442

SCHEMBL7348442

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(OC(N)=O)c3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.75
AVPR1A P37288 8/20 0.75
ABCB11 O95342 1/20 0.71
HTR1A P08908 1/20 0.71
CHRM1 P11229 1/20 0.71
OXTR P30559 1/20 0.71
SLC6A4 P31645 1/20 0.71
ADRA1A P35348 1/20 0.71
OPRM1 P35372 1/20 0.71
AVPR1B P47901 1/20 0.71

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
SCHEMBL7343344 0.93 AVPR2 (0.75) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7357258 0.91 AVPR2 (0.72) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7351842 0.91 AVPR2 (0.77) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7352525 0.90 AVPR1A (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7348652 0.89 AVPR2 (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7351388 0.88 AVPR2 (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7351860 0.88 AVPR2 (0.69) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7346873 0.87 AVPR2 (0.80) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7345137 0.86 AVPR2 (0.71) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7345311 0.86 AVPR2 (0.68) AVPR2AVPR1AABCB11HTR1ACHRM1

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