SCHEMBL7923948

SCHEMBL7923948

COC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CSc3c2ccc2ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.46
XIAP P98170 9/20 0.42
MCHR1 Q99705 1/20 0.35
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
F2 P00734 1/20 0.35
HTR7 P34969 1/20 0.33

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
SCHEMBL7923950 1.00 GHSR (0.47) GHSRAGTR1XIAPMCHR1F7
SCHEMBL7932746 0.93 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL7932751 0.93 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL7923963 0.92 GHSR (0.55) GHSRAGTR1XIAPMCHR1F7
SCHEMBL7923969 0.92 GHSR (0.55) GHSRAGTR1XIAPMCHR1F7
SCHEMBL7933942 0.90 GHSR (0.58) GHSRAGTR1XIAPMCHR1F7
SCHEMBL7933945 0.90 GHSR (0.48) GHSRAGTR1XIAPMCHR1F7
SCHEMBL7933939 0.90 GHSR (0.48) GHSRAGTR1XIAPMCHR1F7
SCHEMBL7794467 0.87 GHSR (0.52) GHSRAGTR1XIAPF7F3
SCHEMBL7930427 0.82 GHSR (0.68) GHSRAGTR1XIAPMCHR1F7

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