SCHEMBL257706

SCHEMBL257706

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 7/20 0.43
FAAH O00519 1/20 0.43
CNR2 P34972 5/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 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
SCHEMBL3470457 0.88 MARS1 (0.45) CNR1CNR2
SCHEMBL14089383 0.88 CNR2 (0.43) CNR1CNR2
SCHEMBL176542 0.83 CNR1 (0.46) CNR1CNR2
SCHEMBL176910 0.83 CNR2 (0.56) CNR1CNR2
SCHEMBL300388 0.82 CNR2 (0.46) CNR1CNR2
SCHEMBL176432 0.82 CNR2 (0.57) CNR1CNR2
SCHEMBL176961 0.81 CNR1 (0.44) CNR1CNR2
SCHEMBL13745542 0.81 CNR1 (0.44) CNR1CNR2
SCHEMBL4912464 0.80 CNR2 (0.48) CNR1CNR2
SCHEMBL14089543 0.79 CNR2 (0.49) CNR1CNR2

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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP disclosed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 WO disclosed