SCHEMBL5250557

SCHEMBL5250557

CC(C)c1cc(Nc2ccc(F)c(Cl)c2)ncc1C(=O)NCC1CCOC(=O)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.64
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL5245508 0.93 CNR2 (0.67) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5249736 0.91 CNR2 (0.65) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5248052 0.91 CNR2 (0.61) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5251306 0.90 CNR2 (0.64) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5214422 0.90 CNR2 (0.78) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5251531 0.89 CNR2 (0.61) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4648946 0.89 CNR2 (0.71) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5244169 0.89 CNR2 (0.81) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5244023 0.88 CNR2 (0.67) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5250155 0.88 CNR2 (0.66) CNR2CYP1A2CYP3A4CYP2D6CYP2C9

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