SCHEMBL5213871

SCHEMBL5213871

O=C(NCC1CCCCN1)c1cnc(Nc2cccc(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.77
CYP3A4 P08684 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 4/20 0.53
TSHR P16473 1/20 0.50
CACNA1F O60840 1/20 0.50
LMNA P02545 1/20 0.50
KCNA5 P22460 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
CACNA1D Q01668 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50

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
SCHEMBL5215754 0.88 CNR2 (0.98) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5077165 0.87 CNR2 (1.00) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5214874 0.86 CNR2 (0.94) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5214258 0.86 CNR2 (0.91) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5216776 0.82 CNR2 (1.00) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5213345 0.80 CNR2 (0.75) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5212031 0.80 CNR2 (0.72) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5214656 0.80 CNR2 (0.74) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5079688 0.80 CNR2 (0.77) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5214293 0.79 CNR2 (0.70) CNR2CYP3A4CYP2C9CYP2C19CYP1A2

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