SCHEMBL5247243

SCHEMBL5247243

CC(C)c1cc(N(C)c2cccc(Br)c2)ncc1C(=O)NCC1CCOC(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.57
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 1/20 0.35

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
SCHEMBL5248272 0.91 CNR2 (0.49) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4649633 0.91 CNR2 (0.69) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5243466 0.90 CNR2 (0.57) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5248345 0.90 CNR2 (0.48) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5246536 0.86 CNR2 (0.50) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5245012 0.86 CNR2 (0.53) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5249738 0.82 CNR2 (0.81) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5213781 0.81 CNR2 (0.60) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5212880 0.81 CNR2 (0.69) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5080726 0.81 CNR2 (0.58) CNR2CYP1A2CYP2D6CYP2C9CYP2C19

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