SCHEMBL8086786

SCHEMBL8086786

CS(=O)(=O)c1ccc(-c2cc(C#N)c(OCc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.64
PTGS2 P35354 10/20 0.56
PTGS1 P23219 3/20 0.54

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
SCHEMBL8095103 0.95 CNR1 (0.61) CNR1PTGS2PTGS1
SCHEMBL8095114 0.91 PTGS2 (0.58) CNR1PTGS2PTGS1
SCHEMBL8101395 0.91 CNR1 (0.55) CNR1PTGS2PTGS1
SCHEMBL8086096 0.91 CNR1 (0.69) CNR1PTGS2PTGS1
SCHEMBL8093875 0.90 CNR1 (0.64) CNR1PTGS2PTGS1
SCHEMBL8101056 0.90 CNR1 (0.61) CNR1PTGS2PTGS1
SCHEMBL8100740 0.87 PTGS2 (0.58) CNR1PTGS2PTGS1
SCHEMBL8094998 0.86 PTGS2 (0.52) CNR1PTGS2PTGS1
SCHEMBL8093865 0.86 PDE10A (0.52) CNR1PTGS2PTGS1
SCHEMBL8096151 0.85 PTGS2 (0.49) CNR1PTGS2PTGS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP claimed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO claimed
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed