SCHEMBL1688884

SCHEMBL1688884

CN1CCN(c2ccc(-c3nc4nn(-c5ccccc5)cc4c(=O)n3-c3ccc(Cl)cc3)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.45
KCNH2 Q12809 2/20 0.45
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
IDO2 Q6ZQW0 2/20 0.44
MAT2A P31153 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1688906 0.89 TDO2 (0.45) CNR1TDO2IDO2MAT2AALDH1A1
SCHEMBL1688973 0.87 KDM4E (0.46) CNR1IDO1TDO2IDO2ALDH1A1
SCHEMBL5611633 0.83 MAPT (0.43) CNR1ALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL1688941 0.83 PTGS2 (0.41) ALDH1A1CYP1A2HSD17B10CYP2C9MAPK1
SCHEMBL1688982 0.81 KDM4E (0.43) CNR1MAPK1KDM4ECNR2
SCHEMBL5611689 0.81 KDM4E (0.43) CNR1IDO1TDO2IDO2MAT2A
SCHEMBL1753297 0.80 MAPT (0.61) ALDH1A1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL1688942 0.78 CNR1 (0.43) CNR1MAT2AMAPK1KDM4EKMT2A
SCHEMBL5611629 0.77 SMN1; SMN2 (0.41) CNR1ALDH1A1CYP1A2HSD17B10CYP2C9
SCHEMBL5611704 0.76 CNR1 (0.45) CNR1MAPK1KDM4EKMT2ACNR2

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