SCHEMBL4701415

SCHEMBL4701415

CCOc1cc(CN(c2ncc(C(=O)O)cn2)C2CCNCC2)cc(OCC)c1Cl.CCOc1cc(CN2CCC(Nc3ncc(-c4ccccc4)cn3)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.49
SSTR1 P30872 2/20 0.46
HRH1 P35367 2/20 0.46
KCNH2 Q12809 1/20 0.45
HTR2B P41595 1/20 0.45
UTS2R Q9UKP6 3/20 0.39

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
SCHEMBL4225536 0.82 SSTR5 (0.49) SSTR5SSTR1HRH1HTR2B
SCHEMBL3776444 0.82 SSTR5 (0.68) SSTR5SSTR1HRH1KCNH2HTR2B
SCHEMBL4701211 0.81 SLC6A4 (0.44) SSTR5SSTR1HRH1KCNH2UTS2R
SCHEMBL3782537 0.81 SSTR5 (0.63) SSTR5SSTR1HRH1KCNH2HTR2B
SCHEMBL4703414 0.80 SLC6A2 (0.40) SSTR5SSTR1KCNH2
SCHEMBL3782200 0.79 SSTR5 (0.64) SSTR5SSTR1HRH1
SCHEMBL3782798 0.79 SSTR5 (0.53) SSTR5SSTR1HRH1HTR2B
SCHEMBL4231286 0.77 SSTR5 (0.56) SSTR5SSTR1HRH1HTR2B
SCHEMBL4230567 0.76 SSTR5 (0.57) SSTR5HRH1HTR2B
SCHEMBL3774424 0.76 SSTR5 (0.58) SSTR5SSTR1HRH1KCNH2HTR2B

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-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed