SCHEMBL8556938

SCHEMBL8556938

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.56
AVPR1A P37288 8/20 0.56
OXTR P30559 2/20 0.47
DHODH Q02127 1/20 0.47
GRM4 Q14833 1/20 0.46
PNLIP P16233 1/20 0.44

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
SCHEMBL8557265 0.94 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8559867 0.91 RAB9A (0.47) AVPR2AVPR1AGRM4
SCHEMBL8557947 0.91 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL8558373 0.90 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8556908 0.89 RAB9A (0.47) AVPR2AVPR1A
SCHEMBL8561432 0.89 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8561799 0.88 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8563330 0.88 NPC1 (0.47) AVPR2AVPR1A
SCHEMBL8561944 0.87 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL8561421 0.87 AVPR2 (0.56) AVPR2AVPR1AOXTRGRM4

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