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SCHEMBL1031107

SCHEMBL1031107

C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CN(C(=O)OC(C)(C)C)CC2=Cc1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 20/20 0.56
▸ CNR2 P34972 13/20 0.56

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
SCHEMBL1031564 1.00 CNR1 (0.56) CNR1CNR2
SCHEMBL1031565 1.00 CNR1 (0.56) CNR1CNR2
SCHEMBL1031105 1.00 CNR1 (0.56) CNR1CNR2
SCHEMBL1031106 1.00 CNR1 (0.56) CNR1CNR2
SCHEMBL1030378 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1029920 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1029921 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1029922 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1030379 0.93 CNR1 (0.58) CNR1CNR2
SCHEMBL1028781 0.91 CNR1 (0.61) 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