SCHEMBL3971377

SCHEMBL3971377

CCOc1cc(CN2CCC(N(c3ccc(C(F)(F)F)cn3)N(c3ncccc3C(F)(F)F)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 1/20 0.41
SSTR1 P30872 1/20 0.41
CYP3A4 P08684 4/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
GMNN O75496 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3976467 0.86 KDM4E (0.51) SSTR5HRH1HTR2BSSTR1DRD4
SCHEMBL3970950 0.83 SSTR5 (0.39) SSTR5HRH1HTR2BSSTR1CYP3A4
SCHEMBL3972896 0.75 SSTR5 (0.43) SSTR5CYP3A4ALDH1A1LMNATP53
SCHEMBL2423205 0.75 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL2418270 0.74 SSTR5 (0.56) SSTR5HRH1HTR2BSSTR1DRD2
SCHEMBL4237355 0.73 SSTR5 (0.49) SSTR5HRH1HTR2BSSTR1DRD2
SCHEMBL3973407 0.72 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1CYP3A4
SCHEMBL3971809 0.71 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3977762 0.69 SSTR5 (0.52) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL3787442 0.68 SSTR5 (0.67) SSTR5HRH1HTR2BSSTR1KCNH2

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 2 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