SCHEMBL9107966

SCHEMBL9107966

CCNC(=O)c1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NCc3ccco3)CCc3cc(SC)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.43
XIAP P98170 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NPY1R P25929 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL9107971 1.00 GHSR (0.46) GHSRAGTR1XIAPALDH1A1HPGD
SCHEMBL9120215 0.93 GHSR (0.41) GHSRAGTR1XIAPALDH1A1HPGD
SCHEMBL9108460 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9037178 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9108111 0.92 GHSR (0.47) GHSRAGTR1XIAPALDH1A1GAA
SCHEMBL9108112 0.92 GHSR (0.47) GHSRAGTR1XIAPALDH1A1GAA
SCHEMBL9105901 0.91 GHSR (0.54) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9105908 0.91 GHSR (0.54) GHSRAGTR1XIAPGAANPSR1
SCHEMBL9106020 0.91 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9108452 0.90 GHSR (0.46) GHSRAGTR1XIAPGAANPSR1

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