SCHEMBL4082633

SCHEMBL4082633

CCOc1cc(CN2CCC(N(c3ccc4cc(F)ccc4n3)N(c3ccc4c(C)nccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.43
HRH1 P35367 3/20 0.42
HTR2B P41595 1/20 0.42
SSTR1 P30872 1/20 0.40
CCR3 P51677 1/20 0.38
CCNT1 O60563 4/20 0.38
CDK9 P50750 4/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL3971809 0.80 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3974044 0.77 SSTR5 (0.48) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3977762 0.77 SSTR5 (0.52) SSTR5HRH1HTR2BMEN1KMT2A
SCHEMBL2418049 0.76 SSTR5 (0.59) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL2420366 0.76 SSTR5 (0.60) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3977776 0.73 SSTR5 (0.50) SSTR5HRH1HTR2BMEN1KMT2A
SCHEMBL3973407 0.71 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1CCR3
SCHEMBL3997486 0.70 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3970950 0.69 SSTR5 (0.39) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4237355 0.69 SSTR5 (0.49) 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