SCHEMBL5213862

SCHEMBL5213862

CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCCC1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.85
CYP2C9 P11712 4/20 0.85
CYP2C19 P33261 4/20 0.85
CYP1A2 P05177 3/20 0.85
CYP2D6 P10635 3/20 0.85
CYP3A4 P08684 2/20 0.85
CNR1 P21554 1/20 0.63

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
SCHEMBL5080718 0.99 CNR2 (0.83) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4906073 0.98 CNR2 (0.85) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5216658 0.92 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5213737 0.92 CNR2 (0.73) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5213271 0.91 CNR2 (0.71) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5214309 0.91 CNR2 (0.71) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5215838 0.91 CNR2 (0.71) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5212517 0.91 CNR2 (0.71) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4909295 0.91 CNR2 (0.73) CNR2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4648506 0.90 CNR2 (0.72) CNR2CYP2C9CYP2C19CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed