SCHEMBL14290243

SCHEMBL14290243

COc1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ASIC1 P78348 2/20 0.45
HDAC1 Q13547 1/20 0.43
HTR2C P28335 1/20 0.43
GIPR P48546 1/20 0.42
CHRM5 P08912 1/20 0.42

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
SCHEMBL14445949 0.90 GCGR (0.51) GCGRMAPTSMN1; SMN2ASIC1HDAC1
SCHEMBL4681912 0.88 NPBWR1 (0.48) MAPTSMN1; SMN2ASIC1HDAC1
SCHEMBL4679240 0.88 GCGR (0.51) GCGRMAPTSMN1; SMN2HDAC1GIPR
SCHEMBL13425858 0.85 MEN1 (0.54) MAPTSMN1; SMN2HDAC1
SCHEMBL23297371 0.82 MAPT (0.67) GCGRMAPTSMN1; SMN2HDAC1HTR2C
SCHEMBL14290130 0.80 GCGR (0.50) GCGRMAPTSMN1; SMN2HDAC1
SCHEMBL5418558 0.79 MAPT (0.40) GCGRMAPTGIPR
SCHEMBL508983 0.79 MAPT (0.45) GCGRMAPT
SCHEMBL14445943 0.79 GCGR (0.39) GCGRMAPTHDAC1
SCHEMBL4683641 0.78 NPBWR1 (0.47) MAPTSMN1; SMN2ASIC1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed