SCHEMBL8317374

SCHEMBL8317374

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccsc32)cc1)c1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.61
AVPR2 P30518 2/20 0.61
AVPR1B P47901 1/20 0.54

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
SCHEMBL8314286 0.90 AVPR2 (0.63) AVPR1AAVPR2
SCHEMBL8315529 0.90 AVPR2 (0.73) AVPR1AAVPR2
SCHEMBL8317690 0.90 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL7337912 0.89 AVPR2 (0.60) AVPR1AAVPR2
SCHEMBL8316428 0.89 AVPR2 (0.61) AVPR1AAVPR2
SCHEMBL8316733 0.86 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL8317613 0.86 AVPR2 (0.51) AVPR1AAVPR2
SCHEMBL8315373 0.86 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL8318009 0.86 AVPR1A (0.65) AVPR1AAVPR2AVPR1B
SCHEMBL8317380 0.86 AVPR2 (0.62) AVPR1AAVPR2

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