SCHEMBL7923935

SCHEMBL7923935

CC(C)(CC(=O)N[C@@H]1CCc2c(ccc3ccccc23)N(Cc2ccc(-c3ccccc3CN)cc2)C1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
AGTR1 P30556 1/20 0.44
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
XIAP P98170 10/20 0.36
NPY1R P25929 1/20 0.34

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
SCHEMBL7930386 0.91 GHSR (0.45) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9087738 0.88 GHSR (0.56) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9025448 0.84 GHSR (0.55) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9091131 0.78 GHSR (0.58) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL8329662 0.78 GHSR (0.69) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL8523460 0.78 AGTR1 (0.53) GHSRAGTR1XIAPNPY1R
SCHEMBL7791777 0.78 GHSR (0.61) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9024904 0.78 GHSR (0.55) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9023926 0.78 GHSR (0.55) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9024480 0.78 GHSR (0.53) GHSRAGTR1PTGER1PTGER4PTGER3

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-6211174-B1 OSTEOPOROSIS; MILK PRODUCTION AND CARCASS QUALITY IN LIVESTOCK; SHORT STATURE; METABOLIC DISORDERS MERCK & CO., INC. 2001-04-03 US disclosed