SCHEMBL8329924

SCHEMBL8329924

CCCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.90
AGTR1 P30556 1/20 0.53
XIAP P98170 9/20 0.52
PTGER1 P34995 2/20 0.47
PTGER3 P43115 2/20 0.47
NPY1R P25929 2/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL7794452 0.95 GHSR (1.00) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL7792149 0.94 GHSR (1.00) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL8329866 0.92 GHSR (0.88) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL7438263 0.92 GHSR (1.00) GHSRAGTR1XIAPNPY1RMME
SCHEMBL8331781 0.91 GHSR (0.86) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL7792445 0.91 GHSR (0.87) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL7785886 0.90 GHSR (0.73) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL7791986 0.90 GHSR (0.85) GHSRAGTR1XIAPNPY1RMME
SCHEMBL8331994 0.90 GHSR (0.84) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL8330374 0.89 GHSR (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed