SCHEMBL8314286

SCHEMBL8314286

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccsc32)cc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.63
AVPR1A P37288 5/20 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
SCHEMBL8315529 0.93 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8317380 0.90 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8317374 0.90 AVPR1A (0.61) AVPR2AVPR1A
SCHEMBL8316106 0.88 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8313230 0.87 AVPR1A (0.64) AVPR2AVPR1A
SCHEMBL8316428 0.86 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8317690 0.85 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL7333949 0.85 AVPR2 (0.86) AVPR2AVPR1A
SCHEMBL8315373 0.84 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL8313340 0.83 AVPR2 (0.56) 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