SCHEMBL4047575

SCHEMBL4047575

CCOc1cc(CN2CCC(N3CC(CC)=CN=C3N)CC2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.48
HRH1 P35367 2/20 0.48
HTR2B P41595 1/20 0.48
SSTR1 P30872 1/20 0.45
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
DCPS Q96C86 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL1748320 0.76 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1748554 0.72 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL2955559 0.71 SSTR5 (0.51) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1873520 0.71 SSTR5 (0.51) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3782654 0.70 SSTR5 (0.62) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3787442 0.70 SSTR5 (0.67) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1748225 0.69 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3776629 0.69 DCPS (0.61) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL5558702 0.69 SSTR5 (0.45) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3785769 0.68 SSTR5 (0.65) 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 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 disclosed