SCHEMBL9105848

SCHEMBL9105848

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.43
NPY1R P25929 2/20 0.40
XIAP P98170 6/20 0.39
FPR1 P21462 5/20 0.39
FPR2 P25090 5/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9105554 0.94 GHSR (0.48) GHSRAGTR1NPY1RXIAPFPR1
SCHEMBL9108417 0.93 GHSR (0.47) GHSRAGTR1NPY1RXIAPTSHR
SCHEMBL9103783 0.91 GHSR (0.55) GHSRAGTR1NPY1RXIAP
SCHEMBL9107203 0.91 GHSR (0.58) GHSRAGTR1NPY1RXIAPFPR1
SCHEMBL9107838 0.90 GHSR (0.41) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL9120693 0.88 GHSR (0.46) GHSRAGTR1NPY1RXIAPFPR1
SCHEMBL9120688 0.88 GHSR (0.46) GHSRAGTR1NPY1RXIAPFPR1
SCHEMBL9108609 0.87 GHSR (0.58) GHSRAGTR1NPY1RXIAPFPR1
SCHEMBL9105727 0.87 GHSR (0.51) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL9108986 0.87 GHSR (0.46) 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 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