SCHEMBL9224430

SCHEMBL9224430

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)N)CSc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.45
AGTR1 P30556 1/20 0.45
PTGER1 P34995 7/20 0.39
PTGER3 P43115 7/20 0.39
PTGER4 P35408 5/20 0.39
PTGER2 P43116 4/20 0.39
TBXA2R P21731 3/20 0.39
PTGFR P43088 3/20 0.39
PTGIR P43119 3/20 0.39
PTGDR Q13258 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
XIAP P98170 1/20 0.38
FPR2 P25090 3/20 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
SCHEMBL9216150 0.92 GHSR (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9220967 0.92 GHSR (0.46) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9215970 0.92 GHSR (0.47) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9223271 0.91 GHSR (0.50) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9223555 0.90 AGTR1 (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9223287 0.90 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9216422 0.90 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9216016 0.90 XIAP (0.37) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107730 0.88 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL7791998 0.85 GHSR (0.57) GHSRAGTR1ALDH1A1MAPTXBP1

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