SCHEMBL3973350

SCHEMBL3973350

CCOc1cc(CN2CCC(N(c3ccc(S(C)(=O)=O)cn3)N(c3ccc(S(C)(=O)=O)cn3)C3CCN(Cc4cc(OCC)c(Cl)c(OCC)c4)CC3)CC2)cc(OCC)c1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 16/20 0.43
KCNH2 Q12809 6/20 0.41
GPR119 Q8TDV5 3/20 0.40
SSTR1 P30872 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL3933800 0.78 SSTR5 (0.44) SSTR5KCNH2SSTR1
SCHEMBL2420778 0.78 SSTR5 (0.54) SSTR5KCNH2SSTR1
SCHEMBL2418190 0.78 SSTR5 (0.61) SSTR5KCNH2SSTR1
SCHEMBL3972896 0.76 SSTR5 (0.43) SSTR5KCNH2GPR119
SCHEMBL27753756 0.73 SSTR5 (0.49) SSTR5KCNH2SSTR1
SCHEMBL4551486 0.72 PTGS2 (0.35) KCNH2PTGS2
SCHEMBL3976467 0.68 KDM4E (0.51) SSTR5SSTR1
SCHEMBL2421955 0.68 SSTR5 (0.64) SSTR5KCNH2
SCHEMBL4232088 0.68 SSTR5 (0.44) SSTR5KCNH2SSTR1
SCHEMBL4232220 0.68 SSTR5 (0.46) SSTR5KCNH2

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-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed