SCHEMBL5788974

SCHEMBL5788974

O=C(NCc1ccnc(F)c1)c1cnc(Nc2cccc(F)c2)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.67
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MTOR P42345 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL5458918 0.91 CNR2 (0.72) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5488182 0.91 CNR2 (0.78) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5452949 0.88 CNR2 (0.84) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5789075 0.86 CNR2 (0.56) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5466603 0.86 CNR2 (0.60) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5466608 0.83 CNR2 (0.52) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5447794 0.81 CNR2 (0.63) CNR2POLBGPR52LMNA
SCHEMBL5216312 0.81 CNR2 (0.65) CNR2
SCHEMBL5459863 0.80 CNR2 (0.81) CNR2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5448657 0.80 CNR2 (1.00) CNR2POLBCYP1A2CYP2C9CYP2C19

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-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP claimed
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed