SCHEMBL9106020

SCHEMBL9106020

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
AGTR1 P30556 1/20 0.42
XIAP P98170 6/20 0.38
NPY1R P25929 7/20 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
SCHEMBL9104298 0.95 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9105393 0.95 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9108441 0.93 GHSR (0.51) GHSRAGTR1XIAPNPY1R
SCHEMBL9108181 0.92 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9107593 0.92 GHSR (0.70) GHSRAGTR1XIAPNPY1R
SCHEMBL9108609 0.91 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9104587 0.91 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9107966 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9107971 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9103746 0.89 GHSR (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
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