SCHEMBL7453095

SCHEMBL7453095

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.85
AVPR1A P37288 11/20 0.85
OXTR P30559 1/20 0.64

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
SCHEMBL7001141 0.93 AVPR2 (0.89) AVPR2AVPR1AOXTR
SCHEMBL5738817 0.92 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8314637 0.86 AVPR2 (0.88) AVPR2AVPR1AOXTR
SCHEMBL5738597 0.85 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL7339573 0.83 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8317046 0.83 AVPR2 (0.85) AVPR2AVPR1AOXTR
SCHEMBL7002910 0.83 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL22825543 0.83 AVPR2 (0.83) AVPR2AVPR1AOXTR
SCHEMBL7001058 0.83 AVPR2 (0.78) AVPR2AVPR1AOXTR
SCHEMBL6999482 0.82 AVPR2 (0.71) 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
WO-1997049708-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO claimed