SCHEMBL1708079

SCHEMBL1708079

Cc1c(CNc2ccc3c(c2)OC[C@H]3C(C)C(=O)O)cccc1-n1c([C@H]2CCCO2)nc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.33
CYP2D6 P10635 1/20 0.33
MDM2 Q00987 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
IDH1 O75874 2/20 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
SCHEMBL1708368 0.91 LMNA (0.33) MDM2TRPV1
SCHEMBL1708060 0.90 MAPT (0.32) TRPV1
SCHEMBL1708304 0.90 MAPT (0.32)
SCHEMBL10291391 0.89 FFAR1 (0.39)
SCHEMBL10011833 0.89 FFAR1 (0.39)
SCHEMBL1708237 0.89 APLNR (0.34)
SCHEMBL1708420 0.89 L3MBTL1 (0.36)
SCHEMBL10291555 0.89 FFAR1 (0.37) CYP2D6IDH1
SCHEMBL1708037 0.87 FFAR1 (0.33) ALOX5APCYP2D6TRPV1IDH1
SCHEMBL3794538 0.82 CYP2D6 (0.32) ALOX5APCYP2D6IDH1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed