SCHEMBL9105908

SCHEMBL9105908

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.54
AGTR1 P30556 1/20 0.51
XIAP P98170 9/20 0.44
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY1R P25929 1/20 0.39

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
SCHEMBL9105901 1.00 GHSR (0.54) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9108112 0.92 GHSR (0.47) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9108111 0.92 GHSR (0.47) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9108986 0.91 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9108446 0.91 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9107966 0.91 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9108993 0.91 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9108452 0.91 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9107971 0.91 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9106996 0.91 GHSR (0.54) GHSRAGTR1XIAPNPY1R

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