SCHEMBL3970950

SCHEMBL3970950

CCOc1cc(CN2CCC(N(c3ccc([N+](=O)[O-])c(C)n3)N(c3ncccc3C(F)(F)F)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 1/20 0.39
SSTR1 P30872 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
OPRM1 P35372 1/20 0.36
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3971377 0.83 SSTR5 (0.41) SSTR5HRH1HTR2BSSTR1ALDH1A1
SCHEMBL3976840 0.74 SSTR5 (0.46) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL2417943 0.74 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1ALDH1A1
SCHEMBL2423205 0.71 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3971809 0.70 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3973407 0.69 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1ALDH1A1
SCHEMBL4082633 0.69 SSTR5 (0.43) SSTR5HRH1HTR2BSSTR1HTR1D
SCHEMBL4237355 0.69 SSTR5 (0.49) SSTR5HRH1HTR2BSSTR1ALDH1A1
SCHEMBL3977762 0.69 SSTR5 (0.52) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL3976467 0.69 KDM4E (0.51) SSTR5HRH1HTR2BSSTR1ALDH1A1

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 disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed