SCHEMBL9107917

SCHEMBL9107917

CC(C)(CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O)NCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.45
AGTR1 P30556 1/20 0.45
XIAP P98170 1/20 0.38
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
F2 P00734 1/20 0.35
MAPT P10636 2/20 0.35
MME P08473 2/20 0.34
ACE P12821 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
RIPK1 Q13546 1/20 0.33
LMNA P02545 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
SCHEMBL9107656 0.93 GHSR (0.41) GHSRAGTR1XIAPF7F3
SCHEMBL9107707 0.92 GHSR (0.41) GHSRAGTR1XIAPF7F3
SCHEMBL9105693 0.92 GHSR (0.44) GHSRAGTR1XIAPF7F3
SCHEMBL9103073 0.92 GHSR (0.40) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9107936 0.90 GHSR (0.43) GHSRAGTR1XIAPF7F3
SCHEMBL9105861 0.89 GHSR (0.58) GHSRAGTR1XIAP
SCHEMBL9024591 0.88 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL9025080 0.88 GHSR (0.46) GHSRAGTR1XIAPF7F3
SCHEMBL14288709 0.87 GHSR (0.58) GHSRAGTR1XIAPF7F3
SCHEMBL9025758 0.87 GHSR (0.58) 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 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