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SCHEMBL1031058

SCHEMBL1031058

C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(OC(=O)OC(C)(C)C)C/C2=C\c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 20/20 0.71
▸ CNR2 P34972 14/20 0.71

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
SCHEMBL1030608 0.94 CNR1 (0.75) CNR1CNR2
SCHEMBL1028402 0.92 CNR1 (0.73) CNR1CNR2
SCHEMBL1030063 0.92 CNR1 (0.73) CNR1CNR2
SCHEMBL1030666 0.91 CNR1 (0.65) CNR1CNR2
SCHEMBL1026777 0.89 CNR1 (0.74) CNR1CNR2
SCHEMBL1026780 0.89 CNR1 (0.74) CNR1CNR2
SCHEMBL1026779 0.89 CNR1 (0.74) CNR1CNR2
SCHEMBL2390971 0.87 CNR1 (0.73) CNR1CNR2
SCHEMBL12266148 0.87 CNR1 (0.73) CNR1CNR2
SCHEMBL2390972 0.87 CNR1 (0.73) 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 claimed