SCHEMBL3977977

SCHEMBL3977977

CCOc1cc(CN(c2cnc(C(=O)OC)cn2)C2CCNCC2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.38
SSTR1 P30872 1/20 0.38
HRH1 P35367 1/20 0.38
TACR1 P25103 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
REN P00797 1/20 0.34
HTR6 P50406 1/20 0.33
LMNA P02545 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
SCHEMBL4222744 0.90 TACR1 (0.38) SSTR5SSTR1HRH1TACR1SLC6A4
SCHEMBL3976342 0.90 SSTR5 (0.38) SSTR5TACR1SMN1; SMN2SLC6A4SLC6A2
SCHEMBL3979346 0.90 REN (0.43) SMN1; SMN2SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3970195 0.90 SLC6A2 (0.37) TACR1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL3977643 0.90 SSTR5 (0.35) SSTR5TACR1SMN1; SMN2SLC6A4SLC6A2
SCHEMBL3970400 0.90 SLC6A9 (0.37) TACR1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL3968604 0.88 SSTR5 (0.40) SSTR5SSTR1HRH1TACR1SMN1; SMN2
SCHEMBL3974571 0.87 REN (0.36) TACR1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL3930491 0.87 TACR1 (0.39) SSTR5SSTR1HRH1TACR1SMN1; SMN2
SCHEMBL3968589 0.86 PLAT (0.33) TACR1SMN1; SMN2SLC6A4SLC6A2SLC6A3

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