SCHEMBL9215959

SCHEMBL9215959

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.40
SCN9A Q15858 3/20 0.39
XIAP P98170 2/20 0.38
GHSR Q92847 2/20 0.38
AGTR1 P30556 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 5/20 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
SCHEMBL9275990 0.94 SCN9A (0.39) F10SCN9AXIAPGHSRAGTR1
SCHEMBL9221294 0.92 XIAP (0.37) F10XIAPGHSRAGTR1
SCHEMBL9224646 0.91 XIAP (0.39) F10XIAPGHSRAGTR1F2
SCHEMBL9218242 0.91 XIAP (0.45) F10XIAPGHSRAGTR1F2
SCHEMBL9216442 0.90 GHSR (0.39) F10SCN9AXIAPGHSRAGTR1
SCHEMBL9221650 0.90 AGTR2 (0.40) F10XIAPAGTR1
SCHEMBL9224502 0.90 GHSR (0.46) F10SCN9AXIAPGHSRAGTR1
SCHEMBL9222552 0.90 GHSR (0.38) F10XIAPGHSRAGTR1PRSS1
SCHEMBL9105600 0.88 GHSR (0.47) F10SCN9AXIAPGHSRAGTR1
SCHEMBL7796068 0.88 GHSR (0.43) F10XIAPGHSRAGTR1F2

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