SCHEMBL9107730

SCHEMBL9107730

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CCc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
AGTR1 P30556 1/20 0.56
PTGER1 P34995 10/20 0.43
PTGER3 P43115 10/20 0.43
PTGER4 P35408 8/20 0.43
PTGER2 P43116 5/20 0.43
TBXA2R P21731 4/20 0.43
PTGFR P43088 4/20 0.43
PTGIR P43119 4/20 0.43
PTGDR Q13258 4/20 0.43
XIAP P98170 3/20 0.42
FPR2 P25090 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
SCHEMBL9107063 0.92 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107736 0.92 GHSR (0.58) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107089 0.92 GHSR (0.57) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107627 0.92 GHSR (0.58) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9108750 0.91 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9102853 0.90 GHSR (0.67) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9105003 0.90 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9219494 0.89 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9105761 0.89 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9106243 0.88 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4

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
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed