SCHEMBL9224646

SCHEMBL9224646

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
GHSR Q92847 4/20 0.39
AGTR1 P30556 1/20 0.39
F10 P00742 9/20 0.34
F7 P08709 6/20 0.33
F3 P13726 6/20 0.33
PRSS1 P07477 5/20 0.33
F2 P00734 3/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL9220979 0.94 GHSR (0.39) XIAPGHSRAGTR1F10F7
SCHEMBL9216442 0.93 GHSR (0.39) XIAPGHSRAGTR1F10F7
SCHEMBL9218242 0.92 XIAP (0.45) XIAPGHSRAGTR1F10F7
SCHEMBL9223402 0.92 XIAP (0.38) XIAPGHSRAGTR1
SCHEMBL9222552 0.91 GHSR (0.38) XIAPGHSRAGTR1F10PRSS1
SCHEMBL9215959 0.91 F10 (0.40) XIAPGHSRAGTR1F10PRSS1
SCHEMBL9221276 0.90 AGTR2 (0.40) XIAPAGTR1
SCHEMBL9275499 0.90 GHSR (0.47) XIAPGHSRAGTR1F10F7
SCHEMBL7794434 0.88 GHSR (0.44) XIAPGHSRAGTR1F10F7
SCHEMBL9105265 0.87 GHSR (0.48) XIAPGHSRAGTR1

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