SCHEMBL1031254

SCHEMBL1031254

COc1ccc(C=C2CN(C(=O)OC(C)(C)C)Cc3c(C(=O)NN4CCC(O)CC4)nn(-c4ccc(Cl)cc4Cl)c32)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.55
CNR2 P34972 12/20 0.53

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
SCHEMBL1031253 1.00 CNR1 (0.55) CNR1CNR2
SCHEMBL1027590 0.94 CNR1 (0.58) CNR1CNR2
SCHEMBL1027591 0.94 CNR1 (0.58) CNR1CNR2
SCHEMBL1030020 0.93 CNR1 (0.51) CNR1CNR2
SCHEMBL1030019 0.93 CNR1 (0.51) CNR1CNR2
SCHEMBL1028698 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1028697 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1029712 0.90 CNR1 (0.55) CNR1CNR2
SCHEMBL1029713 0.90 CNR1 (0.55) CNR1CNR2
SCHEMBL1029714 0.87 CNR1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 EP disclosed