SCHEMBL9223283

SCHEMBL9223283

CC(C)(N)CC(=O)N[C@@H]1CSc2cc(F)ccc2N(Cc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.46
PTGER1 P34995 6/20 0.39
PTGER3 P43115 6/20 0.39
PTGER4 P35408 4/20 0.39
XIAP P98170 1/20 0.39
FPR2 P25090 2/20 0.38
FPR1 P21462 1/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
PTGER2 P43116 2/20 0.37
TBXA2R P21731 2/20 0.37
PTGFR P43088 2/20 0.37
PTGIR P43119 2/20 0.37
PTGDR Q13258 2/20 0.37
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL9273916 0.92 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9275499 0.92 GHSR (0.47) GHSRAGTR1XIAPFPR2FPR1
SCHEMBL9222685 0.91 GHSR (0.51) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107726 0.90 AGTR1 (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9106368 0.87 GHSR (0.57) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9224430 0.84 GHSR (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL8331047 0.84 GHSR (0.48) GHSRAGTR1XIAPF7F3
SCHEMBL9221453 0.84 FPR2 (0.46) GHSRPTGER1PTGER3PTGER4XIAP
SCHEMBL9215970 0.84 GHSR (0.47) 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 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