SCHEMBL3979077

SCHEMBL3979077

CCOc1cc(CN(c2ccc(OS(C)(=O)=O)cn2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.40
KCNH2 Q12809 8/20 0.40
SSTR3 P32745 1/20 0.40
HTR2A P28223 2/20 0.34

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
SCHEMBL4700562 0.91 SSTR5 (0.41) SSTR5KCNH2SSTR3
SCHEMBL3971951 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR3
SCHEMBL3974394 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR3HTR2A
SCHEMBL3975340 0.83 SSTR5 (0.38) SSTR5KCNH2SSTR3HTR2A
SCHEMBL4593376 0.82 SSTR5 (0.36) SSTR5KCNH2SSTR3
SCHEMBL4703721 0.79 SSTR5 (0.43) SSTR5KCNH2SSTR3
SCHEMBL4704418 0.79 SLC6A2 (0.41) SSTR5KCNH2HTR2A
SCHEMBL3979380 0.79 SSTR5 (0.41) SSTR5KCNH2SSTR3HTR2A
SCHEMBL4591930 0.78 POLB (0.42) SSTR5KCNH2HTR2A
SCHEMBL4055974 0.78 SSTR5 (0.41) SSTR5KCNH2SSTR3

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 4 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 claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
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