SCHEMBL8559901

SCHEMBL8559901

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.63
AVPR1A P37288 3/20 0.63
OXTR P30559 1/20 0.57

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
SCHEMBL8558298 0.93 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8557947 0.90 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL8561948 0.89 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8557927 0.89 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8558577 0.88 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL8557883 0.88 MEN1 (0.50) AVPR2AVPR1A
SCHEMBL8560617 0.88 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8557390 0.87 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL8560629 0.87 SMN1; SMN2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL8557610 0.87 MAPT (0.52) 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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed