SCHEMBL1689154

SCHEMBL1689154

O=c1nc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(Cl)cc2)c2c1ncn2-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
PDE10A Q9Y233 2/20 0.39
ABCB1 P08183 1/20 0.37
CCKAR P32238 2/20 0.37
GLA P06280 1/20 0.36
GRM1 Q13255 2/20 0.36
HSD11B1 P28845 1/20 0.36
SLC5A1 P13866 1/20 0.36
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
XDH P47989 1/20 0.34
DHODH Q02127 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL1753325 0.86 MAPT (0.43) MCHR1PDE10AABCB1CCKARGLA
SCHEMBL5612513 0.86 GRM1 (0.46) MCHR1GLAGRM1MAPTALDH1A1
SCHEMBL1688990 0.81 GRM1 (0.47) MCHR1GLAGRM1MAPTALDH1A1
SCHEMBL5611764 0.79 DHFR (0.43) MCHR1GRM1MAPTALDH1A1TSHR
SCHEMBL5611544 0.77 GRM1 (0.40) MCHR1GLAGRM1ALDH1A1TSHR
SCHEMBL5611498 0.77 MAPT (0.43) MCHR1GLAMAPTTSHR
SCHEMBL5611504 0.77 AOC3 (0.44) MCHR1GRM1ALDH1A1TSHRCYP2C19
SCHEMBL4701677 0.76 DHFR (0.39) MCHR1GRM1MAPTXDH
SCHEMBL5611813 0.75 POLB (0.42) MCHR1GLAGRM1MAPTALDH1A1
SCHEMBL4704498 0.74 MCHR1 (0.38) MCHR1GRM1MAPTALDH1A1XDH

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-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed