SCHEMBL300745

SCHEMBL300745

O=C(N[C@@H]1c2ccccc2C[C@@H]1O)Oc1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC[C@@H]2Cc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.39
CNR2 P34972 9/20 0.39
FAAH O00519 1/20 0.36
MMP9 P14780 4/20 0.35
MMP2 P08253 1/20 0.35
MAPK1 P28482 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL300716 1.00 CNR1 (0.39) CNR1CNR2FAAHMMP9MMP2
SCHEMBL176454 0.89 CNR1 (0.47) CNR1CNR2
SCHEMBL176909 0.89 CNR1 (0.47) CNR1CNR2
SCHEMBL300711 0.81 CNR2 (0.44) CNR1CNR2
SCHEMBL300468 0.80 FAAH (0.44) CNR1CNR2FAAH
SCHEMBL300372 0.80 CNR2 (0.42) CNR1CNR2FAAH
SCHEMBL300710 0.79 CNR2 (0.46) CNR1CNR2FAAH
SCHEMBL300530 0.78 CNR1 (0.48) CNR1CNR2FAAH
SCHEMBL300470 0.78 MMP1 (0.40) CNR1CNR2MMP9MMP2
SCHEMBL300704 0.78 MMP1 (0.40) CNR1CNR2MMP9MMP2

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