SCHEMBL3971319

SCHEMBL3971319

CCOc1cc(CN(c2cc(C(=O)OC)cc(Cl)n2)C2CCNCC2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.37
TACR1 P25103 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 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
SCHEMBL3972867 0.90 SSTR5 (0.35) RENALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL3970142 0.89 SSTR5 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3931415 0.87 REN (0.42) RENL3MBTL1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL3973369 0.86 REN (0.43) RENL3MBTL1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL3978900 0.85 SSTR5 (0.44) KCNH2
SCHEMBL3979346 0.82 REN (0.43) RENL3MBTL1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL3973182 0.81 SSTR5 (0.38) SLC6A2SLC6A4SLC6A3KCNH2POLB
SCHEMBL3924961 0.80 REN (0.46) RENSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3974286 0.80 REN (0.43) RENL3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL3968604 0.80 SSTR5 (0.40) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3

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