SCHEMBL4425473

SCHEMBL4425473

CNC(=O)OC(c1cn(S(=O)(=O)c2cccc(F)c2)c(-c2cccnc2C#N)c1F)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.33
PLCG1 P19174 1/20 0.32
DRD2 P14416 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL2411857 0.93 NR3C1 (0.36) PLCG1
SCHEMBL2409994 0.92 PLCG1 (0.33) PLCG1
SCHEMBL4419026 0.92 MET (0.40) HTR6PLCG1DRD2
SCHEMBL2408490 0.90 HTR6 (0.35) HTR6DRD2
SCHEMBL2410874 0.88 NFE2L2 (0.35) HTR6DRD2
SCHEMBL2408730 0.85 NR3C1 (0.35) GRM5
Hydrochloric Acid SCHEMBL4421014 0.85 HTR6 (0.34) HTR6DRD2
SCHEMBL4425656 0.83 MET (0.39)
SCHEMBL2409288 0.81 HTR6 (0.34) HTR6PLCG1DRD2GRM5
SCHEMBL2410027 0.81 NTRK1 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 EP disclosed
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO disclosed