SCHEMBL4740647

SCHEMBL4740647

COc1ccc(CN(C(=O)O)c2cccc(F)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
LTB4R2 Q9NPC1 6/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LPAR1 Q92633 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
QPCT Q16769 1/20 0.43
TSPO P30536 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
SCHEMBL4734260 0.81 LTB4R2 (0.64) LTB4R2KMT2AMEN1NR1H4
SCHEMBL6831433 0.80 LTB4R2 (0.54) LTB4R2KMT2AMEN1NR1H4
SCHEMBL4089396 0.80 CHRM2 (0.52) LTB4R2KMT2AMEN1L3MBTL1
SCHEMBL6827496 0.79 RAB9A (0.53) LTB4R2ACHEKMT2AMEN1L3MBTL1
SCHEMBL4681290 0.79 RELA (0.45) GAAKMT2AMEN1LMNAMAPT
SCHEMBL6830534 0.78 LTB4R2 (0.50) LTB4R2KMT2AMEN1NR1H4L3MBTL1
SCHEMBL4677800 0.76 LTB4R2 (0.50) LTB4R2KMT2AMEN1L3MBTL1
SCHEMBL4079862 0.74 CHRM2 (0.55) LTB4R2ACHEKMT2AMEN1NR1H4
SCHEMBL24751456 0.73 HDAC1 (0.45) GAALTB4R2KMT2AMEN1NR1H4
SCHEMBL29938594 0.73 HDAC1 (0.45) GAALTB4R2KMT2AMEN1NR1H4

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-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed