SCHEMBL4636348

SCHEMBL4636348

CS(=O)(=O)c1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.70
CNR1 P21554 13/20 0.67
CYP2C9 P11712 3/20 0.67
GPR55 Q9Y2T6 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
MAPT P10636 2/20 0.67
CYP2C19 P33261 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
ALOX15 P16050 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ABCC4 O15439 1/20 0.57
MLNR O43193 1/20 0.57
ABCB11 O95342 1/20 0.57
CHRM2 P08172 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57

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
SCHEMBL3815250 0.88 CNR2 (0.91) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL2980102 0.87 CNR1 (0.76) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL974370 0.80 CNR2 (0.78) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL1517458 0.80 CNR1 (1.00) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL29835959 0.80 CNR1 (1.00) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL10138898 0.80 CNR1 (0.79) CNR2CNR1CYP2C9GPR55CYP1A2
Hydrochloric Acid SCHEMBL5611079 0.79 CNR1 (0.56) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL10138873 0.79 CNR1 (0.77) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL661771 0.79 CNR2 (0.70) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL3816361 0.78 CNR1 (0.91) CNR2CNR1CYP2C9GPR55CYP1A2

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-1915364-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007020388-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed