SCHEMBL2560907

SCHEMBL2560907

c1ccc(CNc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.67
CYSLTR2 Q9NS75 5/20 0.67
GPBAR1 Q8TDU6 2/20 0.59
FFAR1 O14842 1/20 0.57
AKR1B1 P15121 1/20 0.57
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
PDE10A Q9Y233 4/20 0.54
F2 P00734 1/20 0.54
ALOX5 P09917 1/20 0.52

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
SCHEMBL2577969 0.88 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL7454134 0.86 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1MEN1TP53
SCHEMBL10547998 0.81 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9022295 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1FFAR1MEN1
SCHEMBL8907596 0.81 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL1695058 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL3271578 0.81 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10544473 0.80 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL2561327 0.80 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10446852 0.80 CYSLTR1 (0.75) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011132048-A1 HETEROARYL COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICAL S.A. (CH) 2011-10-27 WO disclosed
WO-2011132048-A1 HETEROARYL COMPOUNDS AS PDE10A INHIBITORS GLENMARK PHARMACEUTICAL S.A. (CH) 2011-10-27 WO disclosed
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed