SCHEMBL300484

SCHEMBL300484

CC12CCC(C1)C(C)(C)C2NC(=O)Oc1nn(Cc2ccc(F)cc2)c2c1CCCCC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.51
CNR1 P21554 9/20 0.45
APP P05067 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL300508 0.93 CNR2 (0.46) CNR2CNR1
SCHEMBL300646 0.86 CNR2 (0.56) CNR2CNR1
SCHEMBL4712149 0.81 TAS1R3 (0.41) CNR2CNR1
SCHEMBL4714049 0.80 CNR2 (0.40) CNR2CNR1
SCHEMBL300365 0.80 CNR2 (0.41) CNR2CNR1APPPSEN1PSEN2
SCHEMBL4709016 0.79 CNR2 (0.40) CNR2CNR1
SCHEMBL300736 0.79 CNR2 (0.43) CNR2CNR1
SCHEMBL300671 0.79 CNR2 (0.39) CNR2CNR1
SCHEMBL300538 0.79 CNR2 (0.39) CNR2CNR1
SCHEMBL300498 0.78 PTGS2 (0.42) CNR2CNR1

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