SCHEMBL3971951

SCHEMBL3971951

CCOc1cc(CN(c2ccc(OCC#N)cn2)C2CCNCC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.40
KCNH2 Q12809 7/20 0.40
SSTR3 P32745 1/20 0.40
KDM1A O60341 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
IKBKB O14920 1/20 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
SCHEMBL3974394 0.87 SSTR5 (0.40) SSTR5KCNH2SSTR3
SCHEMBL3979077 0.85 SSTR5 (0.40) SSTR5KCNH2SSTR3
SCHEMBL3975340 0.85 SSTR5 (0.38) SSTR5KCNH2SSTR3
SCHEMBL4593947 0.82 SSTR5 (0.35) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL4703721 0.79 SSTR5 (0.43) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL4703122 0.79 SLC6A2 (0.43) KCNH2KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL4700562 0.77 SSTR5 (0.41) SSTR5KCNH2SSTR3SLC6A2SLC6A4
SCHEMBL3972380 0.77 SLC6A2 (0.39) KDM1ASLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL3979380 0.77 SSTR5 (0.41) SSTR5KCNH2SSTR3
SCHEMBL4055974 0.76 SSTR5 (0.41) SSTR5KCNH2SSTR3SLC6A2SLC6A4

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