SCHEMBL4711291

SCHEMBL4711291

O=C(NN1CCCCC1)Oc1nn(-c2ccc(Cl)cc2Cl)c2c1CS(=O)(=O)C/C2=C\c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.47
CNR2 P34972 9/20 0.46
ABCC4 O15439 1/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
AGTR1 P30556 1/20 0.42
CCKAR P32238 1/20 0.42
CCKBR P32239 1/20 0.42
MC4R P32245 1/20 0.42
ABCC1 P33527 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
SCHEMBL4710895 1.00 CNR1 (0.47) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL4712909 0.90 CNR1 (0.46) CNR1CNR2
SCHEMBL4710234 0.89 CNR1 (0.42) CNR1CNR2
SCHEMBL300358 0.88 CNR1 (0.57) CNR1CNR2
SCHEMBL3156288 0.88 CNR1 (0.57) CNR1CNR2
SCHEMBL4710540 0.88 CNR1 (0.42) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL1027292 0.87 CNR1 (0.47) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL4709571 0.87 CNR1 (0.47) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL4710825 0.87 CNR1 (0.47) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL3887711 0.87 CNR1 (0.56) CNR1CNR2ABCC4MLNRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP claimed