SCHEMBL300683

SCHEMBL300683

CCOC(=O)O[C@@H]1C2CCC(C2)[C@@H]1NC(=O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.32
KCNJ6 P48051 2/20 0.32
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 0.32
OPRK1 P41145 1/20 0.31

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
SCHEMBL300707 0.92 KCNJ6 (0.33) CNR2CNR1KCNJ6KCNJ5KCNJ3
SCHEMBL176705 0.88 RORC (0.38) CNR2KCNJ6KCNJ5KCNJ3OPRK1
SCHEMBL300562 0.86 CNR2 (0.42) CNR2CNR1
SCHEMBL4221046 0.83 TAAR1 (0.38) CNR2KCNJ6KCNJ5KCNJ3OPRK1
SCHEMBL3470181 0.82 CNR2 (0.33) CNR2CNR1
SCHEMBL3470473 0.82 CNR2 (0.33) CNR2CNR1
SCHEMBL176896 0.82 CNR2 (0.33) CNR2CNR1
SCHEMBL300717 0.81 CNR2 (0.41) CNR2CNR1
SCHEMBL176657 0.81 KCNJ6 (0.35) CNR2KCNJ6KCNJ5KCNJ3
SCHEMBL176414 0.80 NPC1 (0.44) 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