SCHEMBL8557043

SCHEMBL8557043

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.72
AVPR1A P37288 11/20 0.72
OXTR P30559 2/20 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
SCHEMBL8562010 0.91 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL8559486 0.88 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL8563435 0.88 AVPR2 (0.74) AVPR2AVPR1AOXTR
SCHEMBL7336291 0.86 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8563239 0.85 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8560800 0.84 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL7339573 0.84 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8719654 0.83 AVPR2 (0.73) AVPR2AVPR1AOXTR
SCHEMBL7331266 0.82 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL7339535 0.80 AVPR2 (0.63) 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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed