SCHEMBL9107843

SCHEMBL9107843

CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3cc4ccccc4o3)CSc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
XIAP P98170 3/20 0.40
AGTR1 P30556 1/20 0.37
F7 P08709 6/20 0.36
F3 P13726 6/20 0.36
F2 P00734 3/20 0.36
RIPK1 Q13546 1/20 0.34
MME P08473 3/20 0.33
ACE P12821 3/20 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
SCHEMBL9030610 0.91 XIAP (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9105564 0.90 GHSR (0.54) GHSRXIAPAGTR1F7F3
SCHEMBL9103708 0.88 GHSR (0.67) GHSRXIAPAGTR1
SCHEMBL9118938 0.88 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL9118934 0.88 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL9108492 0.88 GHSR (0.52) GHSRXIAPAGTR1F7F3
SCHEMBL9103074 0.87 GHSR (0.44) GHSRXIAPAGTR1F7F3
SCHEMBL7795613 0.86 GHSR (0.56) GHSRXIAPAGTR1F7F3
SCHEMBL7791808 0.85 GHSR (0.63) GHSRXIAPAGTR1F7F3
SCHEMBL7792142 0.85 GHSR (0.55) GHSRXIAPAGTR1F7F3

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