SCHEMBL9224345

SCHEMBL9224345

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.43
GHSR Q92847 4/20 0.40
AGTR1 P30556 1/20 0.40
PTGER1 P34995 8/20 0.38
PTGER3 P43115 8/20 0.38
PTGER2 P43116 3/20 0.38
PTGER4 P35408 6/20 0.38
TBXA2R P21731 3/20 0.38
PTGFR P43088 3/20 0.38
PTGIR P43119 3/20 0.38
PTGDR Q13258 3/20 0.38
MME P08473 3/20 0.37
ACE P12821 3/20 0.37
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL9223402 0.92 XIAP (0.38) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9216016 0.92 XIAP (0.37) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9221294 0.91 XIAP (0.37) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9222553 0.91 XIAP (0.37) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9218242 0.91 XIAP (0.45) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9221625 0.90 XIAP (0.43) XIAPAGTR1PTGER1PTGER3PTGER2
SCHEMBL9223271 0.89 GHSR (0.50) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL9101307 0.87 GHSR (0.53) XIAPGHSRAGTR1PTGER1PTGER3
SCHEMBL7791693 0.85 GHSR (0.56) XIAPGHSRAGTR1MMEACE
SCHEMBL9221689 0.85 XIAP (0.43) XIAPGHSRAGTR1PTGER1PTGER3

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