SCHEMBL8314080

SCHEMBL8314080

Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.78
AVPR1A P37288 11/20 0.78
OXTR P30559 1/20 0.59

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
SCHEMBL8312651 0.94 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL8314271 0.93 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL7339277 0.93 AVPR2 (0.83) AVPR2AVPR1AOXTR
SCHEMBL8316016 0.92 AVPR2 (0.89) AVPR2AVPR1AOXTR
SCHEMBL8317095 0.91 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL7333936 0.91 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL8314277 0.90 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL7337720 0.89 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8314151 0.89 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8319275 0.89 AVPR2 (0.85) AVPR2AVPR1AOXTR

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