SCHEMBL9218360

SCHEMBL9218360

COc1ccc2c(c1)SC[C@@H](NC(=O)C(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.43
PTGER1 P34995 9/20 0.41
PTGER3 P43115 9/20 0.41
PTGER4 P35408 7/20 0.41
PTGER2 P43116 6/20 0.40
TBXA2R P21731 3/20 0.40
PTGFR P43088 3/20 0.40
PTGIR P43119 3/20 0.40
PTGDR Q13258 3/20 0.40
XIAP P98170 2/20 0.39
FPR2 P25090 3/20 0.38
FPR1 P21462 2/20 0.38
F10 P00742 1/20 0.38
SCN9A Q15858 1/20 0.37
CHRM5 P08912 1/20 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
SCHEMBL9223036 0.92 GHSR (0.46) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9218152 0.92 SCN9A (0.45) GHSRXIAPF10SCN9A
SCHEMBL9216125 0.90 AGTR2 (0.46) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9273916 0.90 GHSR (0.44) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9279965 0.89 GHSR (0.49) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9221453 0.89 FPR2 (0.46) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9222453 0.88 GHSR (0.43) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9106205 0.88 GHSR (0.56) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9216422 0.84 GHSR (0.44) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9224502 0.84 GHSR (0.46) GHSRXIAPF10SCN9ACHRM5

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