SCHEMBL5117936

SCHEMBL5117936

CC1=C(c2ccc(C(=O)N3Cc4ccc(C(=O)O)n4Cc4ccccc43)cc2C)CCCC1O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.43
AVPR1A P37288 7/20 0.41

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
SCHEMBL5117311 1.00 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL6191112 0.93 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5105261 0.93 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5119243 0.90 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5111220 0.90 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5143793 0.90 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL6207415 0.88 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL6207413 0.84 AVPR1A (0.38) AVPR2AVPR1A
SCHEMBL6068860 0.84 AVPR1A (0.57) AVPR2AVPR1A
SCHEMBL5118713 0.84 AVPR1A (0.57) 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
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US disclosed