SCHEMBL8558733

SCHEMBL8558733

Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4ccccc4Cc4ccccc43)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.65
AVPR1A P37288 6/20 0.65
OXTR P30559 1/20 0.56

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
SCHEMBL9236961 0.93 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8558030 0.92 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8560098 0.91 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL8560800 0.89 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL7333080 0.88 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL8556275 0.84 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8313791 0.84 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL8559508 0.84 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8562828 0.83 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL8564021 0.82 AVPR2 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed