SCHEMBL7632997

SCHEMBL7632997

Cc1cn(-c2ccc(C(=O)N3C=C4CC=CN4Cc4ccccc43)c(C(F)(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.41
AVPR1A P37288 2/20 0.41
NR2E1 Q9Y466 13/20 0.36
USP30 Q70CQ3 2/20 0.35
OXTR P30559 1/20 0.32

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
SCHEMBL7424272 0.88 AVPR2 (0.50) AVPR2AVPR1AUSP30OXTR
SCHEMBL7417501 0.81 AVPR2 (0.40) AVPR2AVPR1AOXTR
SCHEMBL7582976 0.78 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL6623276 0.74 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7638228 0.74 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL7422025 0.72 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7423883 0.71 NFKB1 (0.42) AVPR2AVPR1AOXTR
SCHEMBL6623658 0.70 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7419308 0.70 AVPR2 (0.44) AVPR2AVPR1AOXTR
SCHEMBL7635179 0.70 LMNA (0.55) AVPR2

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-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO claimed