SCHEMBL9119823

SCHEMBL9119823

CCNC(=O)c1cc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CCc3cc(C(F)(F)F)ccc32)ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.41
XIAP P98170 9/20 0.39
AGTR1 P30556 1/20 0.39
GAA P10253 1/20 0.39
SCN9A Q15858 2/20 0.36
NPY1R P25929 3/20 0.36

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
SCHEMBL9108993 0.93 GHSR (0.46) GHSRXIAPAGTR1GAASCN9A
SCHEMBL9108986 0.93 GHSR (0.46) GHSRXIAPAGTR1GAASCN9A
SCHEMBL9025599 0.93 GHSR (0.42) GHSRXIAPAGTR1SCN9ANPY1R
SCHEMBL9120215 0.91 GHSR (0.41) GHSRXIAPAGTR1NPY1R
SCHEMBL9120688 0.87 GHSR (0.46) GHSRXIAPAGTR1GAANPY1R
SCHEMBL9120693 0.87 GHSR (0.46) GHSRXIAPAGTR1GAANPY1R
SCHEMBL9108609 0.86 GHSR (0.58) GHSRXIAPAGTR1GAASCN9A
SCHEMBL9108111 0.86 GHSR (0.47) GHSRXIAPAGTR1GAANPY1R
SCHEMBL9108112 0.86 GHSR (0.47) GHSRXIAPAGTR1GAANPY1R
SCHEMBL9105901 0.84 GHSR (0.54) GHSRXIAPAGTR1GAANPY1R

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 1 patent. 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 disclosed