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SCHEMBL7933945

SCHEMBL7933945

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.48
▸ AGTR1 P30556 1/20 0.45
▸ XIAP P98170 11/20 0.44
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ F7 P08709 2/20 0.34
▸ F3 P13726 2/20 0.34
▸ MCHR1 Q99705 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
SCHEMBL7933939 1.00 GHSR (0.48) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7930431 0.93 GHSR (0.57) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7930423 0.93 GHSR (0.57) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7933942 0.91 GHSR (0.58) GHSRAGTR1XIAPF7F3
SCHEMBL7932746 0.91 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL7932751 0.91 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL7923950 0.90 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL7923948 0.90 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL7930427 0.84 GHSR (0.68) GHSRAGTR1XIAPF7F3
SCHEMBL7923963 0.82 GHSR (0.55) GHSRAGTR1XIAPF7F3

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