SCHEMBL8315401

SCHEMBL8315401

Cc1cccc(C)c1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.51
AVPR2 P30518 5/20 0.51
OXTR P30559 1/20 0.51

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
SCHEMBL8315722 0.90 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL7412261 0.90 AVPR2 (0.52) AVPR1AAVPR2
SCHEMBL8314000 0.89 AVPR1A (0.56) AVPR1AAVPR2OXTR
SCHEMBL8314325 0.88 AVPR1A (0.52) AVPR1AAVPR2
SCHEMBL8318310 0.87 AVPR1A (0.54) AVPR1AAVPR2
SCHEMBL8312611 0.85 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL8316563 0.84 AVPR1A (0.50) AVPR1AAVPR2OXTR
SCHEMBL8318821 0.84 GRM1 (0.47) AVPR1AAVPR2OXTR
SCHEMBL8313980 0.84 AVPR1A (0.52) AVPR1AAVPR2OXTR
SCHEMBL8314766 0.84 AVPR2 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed