SCHEMBL9218152

SCHEMBL9218152

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.45
GHSR Q92847 3/20 0.45
F10 P00742 13/20 0.44
F2 P00734 2/20 0.42
PRSS1 P07477 4/20 0.41
XIAP P98170 1/20 0.40

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
SCHEMBL9218360 0.92 GHSR (0.43) SCN9AGHSRF10XIAP
SCHEMBL9224502 0.92 GHSR (0.46) SCN9AGHSRF10F2PRSS1
SCHEMBL9223036 0.91 GHSR (0.46) SCN9AGHSRF10XIAP
SCHEMBL9216125 0.89 AGTR2 (0.46) GHSRF10
SCHEMBL9223472 0.89 GHSR (0.46) SCN9AGHSRF10PRSS1XIAP
SCHEMBL9222570 0.89 GHSR (0.51) SCN9AGHSRF2XIAP
SCHEMBL9220927 0.89 GHSR (0.46) SCN9AGHSRF10PRSS1XIAP
SCHEMBL9222613 0.88 GHSR (0.45) SCN9AGHSRF10PRSS1XIAP
SCHEMBL9107169 0.87 GHSR (0.58) SCN9AGHSRF10XIAP
SCHEMBL9215959 0.86 F10 (0.40) SCN9AGHSRF10F2PRSS1

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