SCHEMBL300473

SCHEMBL300473

O=C(NN1CCOCC1)Oc1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.55
CNR2 P34972 11/20 0.55
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL300459 0.95 CNR2 (0.51) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL3156288 0.93 CNR1 (0.57) CNR1CNR2
SCHEMBL300358 0.93 CNR1 (0.57) CNR1CNR2
SCHEMBL300532 0.88 CNR1 (0.52) CNR1CNR2CYP2C9GPR55
SCHEMBL3153456 0.88 CNR1 (0.54) CNR1CNR2
SCHEMBL176716 0.88 CNR1 (0.66) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL176717 0.88 CNR1 (0.66) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL13871590 0.87 CNR1 (0.65) CNR1CNR2KDM4EMEN1CYP1A2
SCHEMBL300686 0.84 CNR1 (0.55) CNR1CNR2CYP2C9GPR55
SCHEMBL4712170 0.83 CNR1 (0.47) CNR1CNR2CYP2C9GPR55

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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed