SCHEMBL4056515

SCHEMBL4056515

CCOc1cc(CN2CCC(Nc3ncc(OC(=O)O)cn3)CC2)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.62
HRH1 P35367 2/20 0.62
SSTR1 P30872 2/20 0.62
HTR2B P41595 1/20 0.56
KCNH2 Q12809 1/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3776444 0.89 SSTR5 (0.68) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3782654 0.85 SSTR5 (0.62) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3782537 0.84 SSTR5 (0.63) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3787442 0.83 SSTR5 (0.67) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3774424 0.82 SSTR5 (0.58) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL1122072 0.82 SSTR5 (0.80) SSTR5HRH1SSTR1HTR2B
SCHEMBL2417926 0.81 SSTR5 (0.68) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3776489 0.81 SSTR5 (0.56) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL4227219 0.80 SSTR5 (0.56) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3781218 0.80 SSTR5 (0.58) SSTR5HRH1SSTR1HTR2BKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP claimed