SCHEMBL3979346

SCHEMBL3979346

CCOc1cc(CN(c2cnc(C(=O)OC)cn2)C2CCNCC2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
MDM2 Q00987 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
QPCT Q16769 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3978589 0.93 REN (0.46) RENALDH1A1GAAMAPK1MDM2
SCHEMBL3974571 0.91 REN (0.36) RENALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL3969424 0.91 ALOX15 (0.43) RENALDH1A1GAAMAPK1MDM2
SCHEMBL3976342 0.91 SSTR5 (0.38) RENALDH1A1GAAMAPK1MDM2
SCHEMBL3970195 0.91 SLC6A2 (0.37) RENALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3970400 0.90 SLC6A9 (0.37) RENALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL3977977 0.90 SSTR5 (0.38) RENALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL3973369 0.88 REN (0.43) RENALDH1A1MAPK1L3MBTL1HTT
SCHEMBL3968589 0.87 PLAT (0.33) RENALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3977643 0.87 SSTR5 (0.35) RENALDH1A1SMN1; SMN2QPCTSLC6A2

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