SCHEMBL7923969

SCHEMBL7923969

COC(=O)NCc1ccccc1-c1ccc(CN2C(=O)C(NC(=O)C(C)(C)N)CSc3c2ccc2ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.55
XIAP P98170 12/20 0.44
AGTR1 P30556 1/20 0.37
MCHR1 Q99705 1/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
F2 P00734 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
SCHEMBL7923963 1.00 GHSR (0.55) GHSRXIAPAGTR1MCHR1F7
SCHEMBL7923948 0.92 GHSR (0.47) GHSRXIAPAGTR1MCHR1F7
SCHEMBL7923950 0.92 GHSR (0.47) GHSRXIAPAGTR1MCHR1F7
SCHEMBL7930427 0.90 GHSR (0.68) GHSRXIAPAGTR1MCHR1F7
SCHEMBL7930423 0.89 GHSR (0.57) GHSRXIAPAGTR1
SCHEMBL7930431 0.89 GHSR (0.57) GHSRXIAPAGTR1
SCHEMBL7795532 0.86 GHSR (0.61) GHSRXIAPAGTR1F7F3
SCHEMBL7932746 0.85 GHSR (0.48) GHSRXIAPAGTR1F7F3
SCHEMBL7932751 0.85 GHSR (0.48) GHSRXIAPAGTR1F7F3
SCHEMBL7933942 0.83 GHSR (0.58) GHSRXIAPAGTR1MCHR1F7

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