SCHEMBL8330338

SCHEMBL8330338

CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)NC(=O)OCc3ccccc3)CCc3cc(F)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.64
XIAP P98170 9/20 0.43
NPY1R P25929 5/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
AGTR1 P30556 1/20 0.39

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
SCHEMBL7791654 0.93 GHSR (0.54) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL8331869 0.92 GHSR (0.76) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL7786006 0.90 GHSR (0.52) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL7785743 0.88 GHSR (0.69) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL7795550 0.88 GHSR (0.83) GHSRXIAPNPY1RAGTR1
SCHEMBL8330387 0.86 GHSR (0.76) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL8330101 0.86 GHSR (0.66) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL8330701 0.86 GHSR (0.67) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL8330710 0.86 GHSR (0.76) GHSRXIAPNPY1RPTGER1PTGER4
SCHEMBL8329246 0.85 GHSR (0.69) GHSRXIAPNPY1RPTGER1PTGER4

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