SCHEMBL9105594

SCHEMBL9105594

CC(C)(CC(=O)NC1CCc2cc(F)ccc2N(Cc2ccc(-c3ccccc3C(N)=O)cc2)C1=O)NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
XIAP P98170 7/20 0.38
NPY1R P25929 3/20 0.37
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
MAPT P10636 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
SCHEMBL9105597 1.00 GHSR (0.47) GHSRAGTR1XIAPNPY1RFPR1
SCHEMBL9120688 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1RFPR1
SCHEMBL9120693 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1RFPR1
SCHEMBL9106991 0.92 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9106996 0.92 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9108112 0.92 GHSR (0.47) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9108111 0.92 GHSR (0.47) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9037178 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9108460 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9101373 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1RFPR2

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