SCHEMBL8328786

SCHEMBL8328786

CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CCc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.69
AGTR1 P30556 1/20 0.54
XIAP P98170 9/20 0.42
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
NPY1R P25929 2/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL7794456 0.94 GHSR (0.70) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7791735 0.94 GHSR (0.69) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7791643 0.94 GHSR (0.68) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7785884 0.93 GHSR (0.59) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7796023 0.93 GHSR (0.81) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7791738 0.92 GHSR (0.71) GHSRAGTR1XIAPNPY1R
SCHEMBL7791728 0.91 GHSR (0.66) GHSRAGTR1XIAPFPR1FPR2
SCHEMBL7785910 0.90 GHSR (0.84) GHSRAGTR1XIAPNPY1R
SCHEMBL7794470 0.89 GHSR (0.69) GHSRAGTR1XIAPNPY1R
SCHEMBL7792107 0.89 GHSR (0.69) 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