SCHEMBL300704

SCHEMBL300704

O=C(N[C@@H]1c2ccccc2C[C@@H]1O)Oc1nn(C2CCCCC2)c2c1CCCC[C@@H]2Cc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.40
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
MMP9 P14780 9/20 0.34
MMP2 P08253 3/20 0.34
MMP8 P22894 3/20 0.34
ADAMTS4 O75173 2/20 0.34
ADAMTS5 Q9UNA0 2/20 0.34
ADAM17 P78536 1/20 0.33
VIPR2 P41587 1/20 0.33
DHODH Q02127 1/20 0.33
RORC P51449 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
SCHEMBL300470 1.00 MMP1 (0.40) MMP1CNR2CNR1MMP9MMP2
SCHEMBL300546 0.93 VIPR2 (0.36) MMP1CNR2CNR1MMP9MMP2
SCHEMBL177037 0.88 CNR1 (0.44) MMP1CNR2CNR1MMP9MMP2
SCHEMBL176725 0.88 CNR1 (0.44) MMP1CNR2CNR1MMP9MMP2
SCHEMBL300734 0.83 ALDH1A1 (0.38) CNR2
SCHEMBL176680 0.80 CNR1 (0.43) CNR2CNR1VIPR2DHODHRORC
SCHEMBL176682 0.80 CNR1 (0.43) CNR2CNR1VIPR2DHODHRORC
SCHEMBL300360 0.79 CNR2 (0.46) CNR2
SCHEMBL300745 0.78 CNR1 (0.39) CNR2CNR1MMP9MMP2
SCHEMBL300716 0.78 CNR1 (0.39) CNR2CNR1MMP9MMP2

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