SCHEMBL9109311

SCHEMBL9109311

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.60
AGTR1 P30556 1/20 0.42
XIAP P98170 6/20 0.38
NPY1R P25929 6/20 0.36
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL9108181 0.95 GHSR (0.60) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9103719 0.94 GHSR (0.59) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9107007 0.93 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9108721 0.93 GHSR (0.70) GHSRAGTR1XIAPNPY1R
SCHEMBL9108489 0.92 GHSR (0.52) GHSRAGTR1XIAPNPY1RMAPT
SCHEMBL9104909 0.92 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9104298 0.92 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL9104494 0.92 GHSR (0.49) GHSRAGTR1XIAPNPY1R
SCHEMBL9106352 0.89 GHSR (0.51) GHSRAGTR1XIAPMAPTDRD2
SCHEMBL7796085 0.89 GHSR (0.63) GHSRAGTR1XIAPNPY1R

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