SCHEMBL9107007

SCHEMBL9107007

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
AGTR1 P30556 1/20 0.42
XIAP P98170 7/20 0.37
GAA P10253 1/20 0.35
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
SCN9A Q15858 2/20 0.34
NPY1R P25929 1/20 0.34
TRPV1 Q8NER1 1/20 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
SCHEMBL9108609 0.95 GHSR (0.58) GHSRAGTR1XIAPGAAFPR1
SCHEMBL9107203 0.94 GHSR (0.58) GHSRAGTR1XIAPGAAFPR1
SCHEMBL9109311 0.93 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9105727 0.92 GHSR (0.51) GHSRAGTR1XIAPGAAFPR1
SCHEMBL9105554 0.92 GHSR (0.48) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL9108721 0.92 GHSR (0.70) GHSRAGTR1XIAPNPY1R
SCHEMBL9104298 0.91 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9104909 0.91 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9104172 0.90 GHSR (0.50) GHSRAGTR1XIAPGAAFPR1
SCHEMBL7795974 0.89 GHSR (0.61) GHSRAGTR1XIAPSCN9ANPY1R

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