SCHEMBL9220780

SCHEMBL9220780

CSc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N2Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.38
AGTR1 P30556 1/20 0.38
XIAP P98170 1/20 0.36
F10 P00742 8/20 0.33
F7 P08709 7/20 0.33
F3 P13726 7/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 5/20 0.32

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
SCHEMBL9222552 0.94 GHSR (0.38) GHSRAGTR1XIAPF10PRSS1
SCHEMBL9220979 0.91 GHSR (0.39) GHSRAGTR1XIAPF10F7
SCHEMBL9221689 0.91 XIAP (0.43) GHSRAGTR1XIAPF10F7
SCHEMBL9222696 0.90 GHSR (0.38) GHSRAGTR1XIAPF10F7
SCHEMBL9275990 0.90 SCN9A (0.39) GHSRAGTR1XIAPF10F2
SCHEMBL9223030 0.89 GHSR (0.46) GHSRAGTR1XIAPF10F7
SCHEMBL7785914 0.88 GHSR (0.43) GHSRAGTR1XIAPF10F7
SCHEMBL9103376 0.88 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL7796103 0.86 GHSR (0.49) GHSRAGTR1XIAPF10F7
SCHEMBL9222553 0.86 XIAP (0.37) GHSRAGTR1XIAP

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