SCHEMBL9102858

SCHEMBL9102858

CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CSc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
GAA P10253 1/20 0.36
AGTR1 P30556 1/20 0.35
XIAP P98170 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
F2 P00734 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
THRB P10828 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
SCHEMBL9104591 0.95 GHSR (0.49) GHSRGAAAGTR1XIAPMAPT
SCHEMBL9104172 0.94 GHSR (0.50) GHSRGAAAGTR1XIAPMAPT
SCHEMBL9107761 0.93 GHSR (0.42) GHSRGAAAGTR1XIAPMAPT
SCHEMBL9109295 0.93 GHSR (0.49) GHSRAGTR1XIAPMAPTALDH1A1
SCHEMBL9105564 0.92 GHSR (0.54) GHSRAGTR1XIAPMAPTF7
SCHEMBL9103038 0.91 GHSR (0.48) GHSRGAAAGTR1XIAPMAPT
SCHEMBL9102835 0.91 GHSR (0.48) GHSRAGTR1XIAPMAPTALDH1A1
SCHEMBL9107203 0.90 GHSR (0.58) GHSRGAAAGTR1XIAPFPR1
SCHEMBL7791684 0.89 GHSR (0.50) GHSRAGTR1XIAPMAPTALDH1A1
SCHEMBL7794478 0.89 GHSR (0.56) GHSRAGTR1XIAPMAPTALDH1A1

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
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