SCHEMBL4220028

SCHEMBL4220028

CCOc1cc(CN2CCC(Nc3nc(OC)cc(OC)n3)CC2)ccc1Cl.COc1cc(OC)nc(NC2CCNCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.58
HRH1 P35367 5/20 0.58
HTR2B P41595 2/20 0.58
SSTR1 P30872 1/20 0.51
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3780466 0.94 SSTR5 (0.64) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4224881 0.92 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4230425 0.90 SSTR5 (0.59) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4229267 0.87 SSTR5 (0.54) SSTR5HRH1HTR2BKCNH2
SCHEMBL4232811 0.87 SSTR5 (0.45) SSTR5HRH1HTR2BKCNH2
SCHEMBL4227219 0.86 SSTR5 (0.56) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3775232 0.85 SSTR5 (0.62) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3771847 0.85 SSTR5 (0.65) SSTR5HRH1HTR2BKCNH2
SCHEMBL3781404 0.84 SSTR5 (0.62) SSTR5HRH1HTR2BKCNH2
SCHEMBL3781177 0.84 SSTR5 (0.62) SSTR5HRH1HTR2BKCNH2

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