SCHEMBL2409947

SCHEMBL2409947

CNC(=O)OC(c1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(F)c2)c1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
DRD2 P14416 1/20 0.32
MET P08581 2/20 0.32
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4425214 0.92 MAPT (0.33)
SCHEMBL2409435 0.91 MET (0.43) HTR6DRD2MET
SCHEMBL4791733 0.88 PTGS2 (0.30)
SCHEMBL4416225 0.87 KAT6A (0.31)
SCHEMBL4412054 0.87 MET (0.40) HTR6HTR2AHTR7DRD2MET
SCHEMBL2408490 0.86 HTR6 (0.35) HTR6HTR2AHTR2CHTR7DRD2
SCHEMBL2410132 0.82 MET (0.33) HTR6METALDH1A1
SCHEMBL2416547 0.81 HTR6 (0.35) HTR6HTR2ADRD2ALDH1A1
SCHEMBL4791657 0.80 FPR1 (0.31)
SCHEMBL2410874 0.80 NFE2L2 (0.35) HTR6HTR2AHTR2CHTR7DRD2

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
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed