SCHEMBL13629595

SCHEMBL13629595

Cc1cc(OC(F)(F)F)cc2c1OCC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
PARP1 P09874 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TEAD1 P28347 2/20 0.32
TEAD4 Q15561 2/20 0.32
TEAD2 Q15562 2/20 0.32
TEAD3 Q99594 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
CYP2A6 P11509 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRM2 Q14416 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
SCHEMBL8156196 0.81 PARP1 (0.33) PARP1TEAD1TEAD4TEAD2TEAD3
SCHEMBL13629594 0.76 MAPT (0.38) PTGS1PTGS2PARP1CYP2A6
SCHEMBL14189080 0.72 PARP1 (0.54) PTGS1PTGS2PARP1CYP2A6
SCHEMBL8011587 0.71 PARP1 (0.37) PTGS1PTGS2PARP1CYP2A6
SCHEMBL7490063 0.69 PTGES (0.41) PARP1
SCHEMBL15189277 0.68 FFAR4 (0.42) PTGS1PTGS2FFAR4HRH4GRIN2B
SCHEMBL7484709 0.68 PARP1 (0.39) PTGS1PTGS2PARP1CYP2A6
SCHEMBL6342164 0.68 MAPT (0.36) PTGS1PTGS2PARP1CYP2A6
SCHEMBL8466298 0.68 PARP1 (0.39) PTGS1PTGS2PARP1CYP2A6
SCHEMBL5542428 0.68 PARP1 (0.39) PTGS1PTGS2PARP1CYP2A6

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
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed