SCHEMBL9108780

SCHEMBL9108780

CSc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2CNC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.36
XIAP P98170 1/20 0.34
F7 P08709 5/20 0.34
F3 P13726 5/20 0.34
F2 P00734 2/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
F10 P00742 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
SCHEMBL9102835 0.93 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL9103746 0.93 GHSR (0.49) GHSRAGTR1XIAPF7F3
SCHEMBL9106874 0.92 GHSR (0.49) GHSRAGTR1XIAPF7F3
SCHEMBL9105937 0.92 GHSR (0.43) GHSRAGTR1XIAPF7F3
SCHEMBL9104983 0.91 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL9107761 0.91 GHSR (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL9102792 0.90 GHSR (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL8326452 0.89 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL9108441 0.89 GHSR (0.51) GHSRAGTR1XIAP
SCHEMBL7791802 0.89 GHSR (0.43) GHSRAGTR1XIAPF7F3

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