SCHEMBL9103719

SCHEMBL9103719

CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CCc3cc(F)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
AGTR1 P30556 1/20 0.43
XIAP P98170 9/20 0.40
NPY1R P25929 4/20 0.37
MAPT P10636 1/20 0.35

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
SCHEMBL9108181 0.94 GHSR (0.60) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9109311 0.94 GHSR (0.60) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9108489 0.93 GHSR (0.52) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9107203 0.93 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9109371 0.93 GHSR (0.69) GHSRAGTR1XIAPNPY1R
SCHEMBL9105393 0.92 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9105585 0.92 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9108417 0.91 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9105235 0.90 GHSR (0.45) GHSRAGTR1XIAPNPY1R
SCHEMBL9109295 0.89 GHSR (0.49) GHSRAGTR1XIAPMAPT

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-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed