SCHEMBL4227219

SCHEMBL4227219

CCOc1cc(CN2CCC(Nc3ncc(CC)cn3)CC2)ccc1Cl.CCc1cnc(NC2CCNCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.56
HRH1 P35367 6/20 0.56
HTR2B P41595 2/20 0.56
SSTR1 P30872 1/20 0.54
KCNH2 Q12809 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
SCHEMBL3782654 0.94 SSTR5 (0.62) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4234442 0.91 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1
SCHEMBL4230963 0.87 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4230425 0.87 SSTR5 (0.59) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4229157 0.87 SSTR5 (0.53) SSTR5HRH1HTR2BKCNH2
SCHEMBL4220028 0.86 SSTR5 (0.58) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4224881 0.85 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3782318 0.84 SSTR5 (0.60) SSTR5HRH1HTR2BSSTR1
SCHEMBL3782813 0.84 SSTR5 (0.63) SSTR5HRH1HTR2BSSTR1
SCHEMBL3787442 0.84 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 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