SCHEMBL9105727

SCHEMBL9105727

CC(C)(CC(=O)N[C@@H]1CCc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O)NCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.44
XIAP P98170 8/20 0.38
GAA P10253 1/20 0.36
SCN9A Q15858 2/20 0.35
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34

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
SCHEMBL9107203 0.93 GHSR (0.58) GHSRAGTR1XIAPGAASCN9A
SCHEMBL9108609 0.93 GHSR (0.58) GHSRAGTR1XIAPGAASCN9A
SCHEMBL9108489 0.93 GHSR (0.52) GHSRAGTR1XIAP
SCHEMBL9107007 0.92 GHSR (0.59) GHSRAGTR1XIAPGAASCN9A
SCHEMBL9106309 0.91 GHSR (0.60) GHSRAGTR1XIAP
SCHEMBL9120688 0.91 GHSR (0.46) GHSRAGTR1XIAPGAAFPR1
SCHEMBL9120693 0.91 GHSR (0.46) GHSRAGTR1XIAPGAAFPR1
SCHEMBL9108441 0.90 GHSR (0.51) GHSRAGTR1XIAP
SCHEMBL9108345 0.90 GHSR (0.51) GHSRAGTR1XIAPGAA
SCHEMBL9107761 0.90 GHSR (0.42) GHSRAGTR1XIAPGAA

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