SCHEMBL7930427

SCHEMBL7930427

CC(C)(N)C(=O)N[C@@H]1CSc2c(ccc3ccccc23)N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.68
XIAP P98170 8/20 0.43
AGTR1 P30556 1/20 0.37
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
MCHR1 Q99705 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER3 P43115 1/20 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
SCHEMBL7933942 0.92 GHSR (0.58) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7930431 0.91 GHSR (0.57) GHSRXIAPAGTR1
SCHEMBL7930423 0.91 GHSR (0.57) GHSRXIAPAGTR1
SCHEMBL7923963 0.90 GHSR (0.55) GHSRXIAPAGTR1F7F3
SCHEMBL7923969 0.90 GHSR (0.55) GHSRXIAPAGTR1F7F3
SCHEMBL7791979 0.87 GHSR (0.76) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7794663 0.84 GHSR (0.68) GHSRXIAPAGTR1DRD2DRD4
SCHEMBL7796084 0.84 GHSR (0.67) GHSRXIAPAGTR1F7F3
SCHEMBL7932746 0.84 GHSR (0.48) GHSRXIAPAGTR1F7F3
SCHEMBL7932751 0.84 GHSR (0.48) GHSRXIAPAGTR1F7F3

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