SCHEMBL9025599

SCHEMBL9025599

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
XIAP P98170 7/20 0.40
AGTR1 P30556 1/20 0.39
NPY1R P25929 7/20 0.37
SCN9A Q15858 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
SCHEMBL9108112 0.93 GHSR (0.47) GHSRXIAPAGTR1NPY1R
SCHEMBL9108111 0.93 GHSR (0.47) GHSRXIAPAGTR1NPY1R
SCHEMBL9119823 0.93 GHSR (0.41) GHSRXIAPAGTR1NPY1RSCN9A
SCHEMBL9120215 0.92 GHSR (0.41) GHSRXIAPAGTR1NPY1R
SCHEMBL9105594 0.86 GHSR (0.47) GHSRXIAPAGTR1NPY1R
SCHEMBL9105597 0.86 GHSR (0.47) GHSRXIAPAGTR1NPY1R
SCHEMBL9108993 0.86 GHSR (0.46) GHSRXIAPAGTR1SCN9A
SCHEMBL9108181 0.86 GHSR (0.60) GHSRXIAPAGTR1NPY1R
SCHEMBL9108986 0.86 GHSR (0.46) GHSRXIAPAGTR1SCN9A
SCHEMBL9105901 0.85 GHSR (0.54) GHSRXIAPAGTR1NPY1R

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
EP-0711287-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 1996-08-28 EP disclosed
EP-0711287-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1996-05-15 EP disclosed
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed