SCHEMBL3973459

SCHEMBL3973459

CCOc1cc(CN(c2cnc(C(=O)OC)cn2)C2CCNCC2)cc(OCC)c1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 3/20 0.34
PLAT P00750 2/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
KCNH2 Q12809 1/20 0.32
IKBKB O14920 1/20 0.32
TACR1 P25103 3/20 0.32
REN P00797 2/20 0.32
ALDH1A1 P00352 2/20 0.32
FGFR4 P22455 1/20 0.31
RORC P51449 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL3977643 0.91 SSTR5 (0.35) PLATSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3970171 0.91 HTR2A (0.36) PLATSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3968589 0.91 PLAT (0.33) TRPC6PLATSLC6A2SLC6A4SLC6A3
SCHEMBL3972784 0.88 TACR1 (0.36) PLATSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3979346 0.87 REN (0.43) SLC6A2SLC6A4SLC6A3KCNH2REN
SCHEMBL3970195 0.87 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3976342 0.87 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL4222747 0.87 DHFR (0.35) PLATSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3977977 0.86 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL3970400 0.86 SLC6A9 (0.37) SLC6A2SLC6A4SLC6A3KCNH2TACR1

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