SCHEMBL8776740

SCHEMBL8776740

CCS(=O)(=O)c1ccc(-c2cc(C#N)c(OC)nc2-c2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.52
CNR2 P34972 15/20 0.52
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8093899 0.90 CNR1 (0.53) CNR1CNR2L3MBTL1
SCHEMBL8776824 0.89 CNR1 (0.63) CNR1CNR2
SCHEMBL8094767 0.89 CNR1 (0.52) CNR1CNR2L3MBTL1
SCHEMBL8776752 0.85 CNR1 (0.48) CNR1CNR2
SCHEMBL8776720 0.82 PTGS2 (0.47) CNR1CNR2L3MBTL1
SCHEMBL8776866 0.81 KDM4E (0.43) CNR1CNR2
SCHEMBL8776770 0.81 SCN9A (0.45) CNR1CNR2
SCHEMBL8776778 0.80 CNR1 (0.41) CNR1CNR2
SCHEMBL8099034 0.78 CNR1 (0.65) CNR1CNR2
SCHEMBL8093990 0.78 CNR1 (0.64) CNR1CNR2

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-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed