SCHEMBL3976342

SCHEMBL3976342

CCOc1cc(CN(c2cnc(C(=O)OC)cn2)C2CCNCC2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
KCNH2 Q12809 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
TACR1 P25103 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
REN P00797 1/20 0.34
GAA P10253 2/20 0.33
HTR2A P28223 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL3970195 0.91 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3979346 0.91 REN (0.43) SLC6A2SLC6A4SLC6A3KCNH2ALDH1A1
SCHEMBL3970400 0.90 SLC6A9 (0.37) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3977977 0.90 SSTR5 (0.38) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3974571 0.88 REN (0.36) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3977643 0.87 SSTR5 (0.35) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3968589 0.87 PLAT (0.33) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3973459 0.87 TRPC6 (0.34) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3970171 0.87 HTR2A (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3929051 0.85 TACR1 (0.40) SSTR5SLC6A2SLC6A4SLC6A3KCNH2

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