SCHEMBL9104937

SCHEMBL9104937

COC(=O)Nc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CCc3cc(F)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
AGTR1 P30556 1/20 0.44
NPY1R P25929 6/20 0.38
XIAP P98170 6/20 0.37
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL9108417 0.93 GHSR (0.47) GHSRAGTR1NPY1RXIAPTSHR
SCHEMBL9105231 0.92 GHSR (0.51) GHSRAGTR1NPY1RXIAP
SCHEMBL9104494 0.91 GHSR (0.49) GHSRAGTR1NPY1RXIAPTSHR
SCHEMBL9105235 0.90 GHSR (0.45) GHSRAGTR1NPY1RXIAP
SCHEMBL9105594 0.88 GHSR (0.47) GHSRAGTR1NPY1RXIAP
SCHEMBL9105597 0.88 GHSR (0.47) GHSRAGTR1NPY1RXIAP
SCHEMBL9108112 0.86 GHSR (0.47) GHSRAGTR1NPY1RXIAP
SCHEMBL9108111 0.86 GHSR (0.47) GHSRAGTR1NPY1RXIAP
SCHEMBL9108489 0.86 GHSR (0.52) GHSRAGTR1NPY1RXIAP
SCHEMBL7785840 0.86 GHSR (0.57) GHSRAGTR1NPY1RXIAP

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 3 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
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed