SCHEMBL9104591

SCHEMBL9104591

CCNC(=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 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
GAA P10253 1/20 0.35
AGTR1 P30556 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 0.33
F3 P13726 4/20 0.33
TP53 P04637 1/20 0.33
XIAP P98170 1/20 0.33
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL9104172 0.95 GHSR (0.50) GHSRGAAAGTR1MAPTALDH1A1
SCHEMBL9102858 0.95 GHSR (0.49) GHSRGAAAGTR1MAPTALDH1A1
SCHEMBL9107337 0.93 GHSR (0.50) GHSRAGTR1MAPTALDH1A1F7
SCHEMBL9107761 0.93 GHSR (0.42) GHSRGAAAGTR1MAPTALDH1A1
SCHEMBL9106381 0.92 GHSR (0.55) GHSRAGTR1MAPTF7F3
SCHEMBL9103746 0.91 GHSR (0.49) GHSRAGTR1MAPTALDH1A1F7
SCHEMBL9103333 0.91 GHSR (0.49) GHSRGAAAGTR1MAPTALDH1A1
SCHEMBL9108609 0.90 GHSR (0.58) GHSRGAAAGTR1XIAPFPR1
SCHEMBL7792292 0.89 GHSR (0.51) GHSRAGTR1MAPTALDH1A1XBP1
SCHEMBL7791998 0.89 GHSR (0.57) GHSRAGTR1MAPTALDH1A1XBP1

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