SCHEMBL9103746

SCHEMBL9103746

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
AGTR1 P30556 1/20 0.34
TP53 P04637 1/20 0.33
XIAP P98170 1/20 0.33
MAPT P10636 5/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
F7 P08709 2/20 0.31
F3 P13726 2/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL9106874 0.95 GHSR (0.49) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9102835 0.95 GHSR (0.48) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9108780 0.93 GHSR (0.42) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9107337 0.92 GHSR (0.50) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9106381 0.92 GHSR (0.55) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9104591 0.91 GHSR (0.49) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9103333 0.91 GHSR (0.49) GHSRAGTR1TP53XIAPMAPT
SCHEMBL9106020 0.89 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL7794409 0.89 GHSR (0.50) GHSRAGTR1XIAPKMT2AF7
SCHEMBL7791759 0.89 GHSR (0.56) GHSRAGTR1XIAPKMT2AF7

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