SCHEMBL9105221

SCHEMBL9105221

CC(C)(CC(=O)NC1CSc2ccccc2N(Cc2ccc(-c3ccccc3C(N)=O)cc2)C1=O)NCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.42
XIAP P98170 1/20 0.41
F7 P08709 7/20 0.40
F3 P13726 7/20 0.40
F2 P00734 3/20 0.40
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
F10 P00742 1/20 0.35

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
SCHEMBL9105226 1.00 GHSR (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL9105116 0.91 GHSR (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL9105107 0.91 GHSR (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL9117870 0.90 F7 (0.38) GHSRXIAPF7F3F2
SCHEMBL9104983 0.90 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL9106991 0.88 GHSR (0.54) GHSRAGTR1XIAP
SCHEMBL9106996 0.88 GHSR (0.54) GHSRAGTR1XIAP
SCHEMBL9106865 0.87 XIAP (0.39) GHSRAGTR1XIAPF7F3
SCHEMBL9108493 0.87 XIAP (0.42) GHSRAGTR1XIAPF7F3
SCHEMBL9024508 0.87 GHSR (0.53) 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
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