SCHEMBL9108441

SCHEMBL9108441

CSc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2CNC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.44
XIAP P98170 11/20 0.38
NPY1R P25929 2/20 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
SCHEMBL9105393 0.93 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9106020 0.93 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9104298 0.92 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9108489 0.92 GHSR (0.52) GHSRAGTR1XIAPNPY1R
SCHEMBL9106309 0.91 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9037178 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9108460 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9105727 0.90 GHSR (0.51) GHSRAGTR1XIAP
SCHEMBL9108345 0.90 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9108780 0.89 GHSR (0.42) GHSRAGTR1XIAP

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