SCHEMBL7997696

SCHEMBL7997696

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CN2CCN(Cc3ccc(C(=N)N)cc3)C(=O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.44
PRSS1 P07477 7/20 0.42
GPR119 Q8TDV5 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 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
SCHEMBL7996082 0.89 GPR119 (0.42) F10PRSS1GPR119
SCHEMBL7999734 0.83 F10 (0.39) F10PRSS1GPR119
SCHEMBL7996365 0.81 PLA2G2A (0.39) OPRM1OPRK1
SCHEMBL7986762 0.80 F10 (0.55) F10PRSS1
SCHEMBL7999835 0.79 F10 (0.58) F10PRSS1
SCHEMBL7986780 0.78 F10 (0.62) F10PRSS1
SCHEMBL7986772 0.73 F10 (0.57) F10PRSS1
Trifluoroacetic Acid SCHEMBL7997619 0.73 PRSS1 (0.52) F10PRSS1
SCHEMBL7986943 0.73 F10 (0.56) F10PRSS1
SCHEMBL7986749 0.73 F10 (0.56) F10PRSS1

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed