SCHEMBL9105107

SCHEMBL9105107

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NCc3ccco3)CSc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
XIAP P98170 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AGTR1 P30556 1/20 0.39
F7 P08709 4/20 0.38
F3 P13726 4/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 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
SCHEMBL9105116 1.00 GHSR (0.42) GHSRXIAPGAANPSR1AGTR1
SCHEMBL9119997 0.92 XIAP (0.45) GHSRXIAPNPSR1F7F3
SCHEMBL9105226 0.91 GHSR (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9105221 0.91 GHSR (0.42) GHSRXIAPAGTR1F7F3
SCHEMBL9109388 0.91 GHSR (0.40) GHSRXIAPAGTR1F7F3
SCHEMBL9109384 0.91 GHSR (0.40) GHSRXIAPAGTR1F7F3
SCHEMBL9106381 0.90 GHSR (0.55) GHSRXIAPAGTR1F7F3
SCHEMBL9118934 0.89 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL9118938 0.89 GHSR (0.41) GHSRXIAPAGTR1F7F3
SCHEMBL9117873 0.89 NPSR1 (0.47) XIAPGAANPSR1F7F3

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