SCHEMBL9101383

SCHEMBL9101383

COc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.46
XIAP P98170 8/20 0.42
FPR2 P25090 1/20 0.38
NPY1R P25929 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
CCKBR P32239 1/20 0.36
RIPK1 Q13546 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
SCHEMBL9101373 1.00 GHSR (0.46) GHSRAGTR1XIAPFPR2NPY1R
SCHEMBL9108446 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1RRIPK1
SCHEMBL9108452 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1RRIPK1
SCHEMBL9105594 0.91 GHSR (0.47) GHSRAGTR1XIAPFPR2NPY1R
SCHEMBL9105597 0.91 GHSR (0.47) GHSRAGTR1XIAPFPR2NPY1R
SCHEMBL9106996 0.91 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9106991 0.91 GHSR (0.54) GHSRAGTR1XIAPNPY1R
SCHEMBL9108345 0.91 GHSR (0.51) GHSRAGTR1XIAPNPY1RF10
SCHEMBL9037178 0.90 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9120688 0.90 GHSR (0.46) GHSRAGTR1XIAPFPR2NPY1R

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