SCHEMBL9223271

SCHEMBL9223271

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CSc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.50
AGTR1 P30556 1/20 0.50
XIAP P98170 1/20 0.44
PTGER1 P34995 7/20 0.41
PTGER3 P43115 7/20 0.41
PTGER4 P35408 5/20 0.41
F7 P08709 4/20 0.40
F3 P13726 4/20 0.40
PTGER2 P43116 3/20 0.40
TBXA2R P21731 2/20 0.40
PTGFR P43088 2/20 0.40
PTGIR P43119 2/20 0.40
PTGDR Q13258 2/20 0.40
F2 P00734 1/20 0.40
MME P08473 2/20 0.39
ACE P12821 2/20 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
SCHEMBL9222685 0.92 GHSR (0.51) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9219058 0.91 GHSR (0.52) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9216150 0.91 GHSR (0.45) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9224430 0.91 GHSR (0.45) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9223287 0.90 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9216422 0.90 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9104302 0.89 AGTR1 (0.50) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9224345 0.89 XIAP (0.43) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9102853 0.86 GHSR (0.67) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9024508 0.85 GHSR (0.53) GHSRAGTR1XIAPF7F3

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 1 patent. 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