SCHEMBL5214047

SCHEMBL5214047

CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.58
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
CNR1 P21554 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL5213329 0.89 CNR2 (0.62) CNR2ABL1BCRCNR1CYP3A4
SCHEMBL5215525 0.88 CNR2 (0.63) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL5215693 0.86 CNR2 (0.59) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL5212172 0.86 CNR2 (0.68) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL4648950 0.79 CNR2 (0.72) CNR2MEN1KMT2A
SCHEMBL5212777 0.79 CNR2 (0.61) CNR2
SCHEMBL5212774 0.79 CNR2 (0.61) CNR2
SCHEMBL5213596 0.79 CNR2 (0.61) CNR2
SCHEMBL14381004 0.77 CNR2 (0.56) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL3382290 0.76 CNR2 (0.56) CNR2CYP3A4CYP2D6CYP2C9CYP2C19

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