SCHEMBL9220979

SCHEMBL9220979

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.39
AGTR1 P30556 1/20 0.39
XIAP P98170 1/20 0.37
F7 P08709 8/20 0.34
F3 P13726 8/20 0.34
F2 P00734 3/20 0.34
F10 P00742 8/20 0.34
PRSS1 P07477 5/20 0.34

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
SCHEMBL9224646 0.94 XIAP (0.39) GHSRAGTR1XIAPF7F3
SCHEMBL9222696 0.93 GHSR (0.38) GHSRAGTR1XIAPF7F3
SCHEMBL9221689 0.92 XIAP (0.43) GHSRAGTR1XIAPF7F3
SCHEMBL9275990 0.91 SCN9A (0.39) GHSRAGTR1XIAPF2F10
SCHEMBL9220780 0.91 GHSR (0.38) GHSRAGTR1XIAPF7F3
SCHEMBL9275499 0.89 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL7796072 0.88 GHSR (0.44) GHSRAGTR1XIAPF7F3
SCHEMBL9106599 0.88 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL9216442 0.87 GHSR (0.39) GHSRAGTR1XIAPF7F3
SCHEMBL7785934 0.86 GHSR (0.50) GHSRAGTR1XIAPF7F3

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