SCHEMBL9108993

SCHEMBL9108993

CCNC(=O)c1ccccc1-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
GAA P10253 1/20 0.45
AGTR1 P30556 1/20 0.43
XIAP P98170 6/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTTP P55157 2/20 0.35
ADAMTS7 Q9UKP4 1/20 0.35
SCN9A Q15858 1/20 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
SCHEMBL9108986 1.00 GHSR (0.46) GHSRGAAAGTR1XIAPNPSR1
SCHEMBL9119823 0.93 GHSR (0.41) GHSRGAAAGTR1XIAPSCN9A
SCHEMBL9108111 0.93 GHSR (0.47) GHSRGAAAGTR1XIAPNPSR1
SCHEMBL9108112 0.93 GHSR (0.47) GHSRGAAAGTR1XIAPNPSR1
SCHEMBL9120693 0.92 GHSR (0.46) GHSRGAAAGTR1XIAP
SCHEMBL9120688 0.92 GHSR (0.46) GHSRGAAAGTR1XIAP
SCHEMBL9105901 0.91 GHSR (0.54) GHSRGAAAGTR1XIAPNPSR1
SCHEMBL9105908 0.91 GHSR (0.54) GHSRGAAAGTR1XIAPNPSR1
SCHEMBL9108609 0.91 GHSR (0.58) GHSRGAAAGTR1XIAPSCN9A
SCHEMBL9108446 0.90 GHSR (0.46) GHSRGAAAGTR1XIAPNPSR1

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