SCHEMBL8312904

SCHEMBL8312904

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.66
AVPR1A P37288 7/20 0.66

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
SCHEMBL8314796 0.88 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8316091 0.87 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL8317630 0.86 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8313880 0.86 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8317049 0.85 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8862859 0.85 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL8316338 0.85 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL8312708 0.83 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8313469 0.83 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8317025 0.83 AVPR2 (0.75) AVPR2AVPR1A

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