SCHEMBL4756346

SCHEMBL4756346

CCOc1cc(CN2CCC(Nc3nc(N)nc(OC)n3)CC2)cc(OCC)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.49
SSTR1 P30872 2/20 0.49
HRH1 P35367 4/20 0.47
HTR2B P41595 2/20 0.47
NSD2 O96028 1/20 0.46
ACHE P22303 1/20 0.43

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
SCHEMBL4756327 0.90 SSTR5 (0.54) SSTR5SSTR1HRH1HTR2BNSD2
SCHEMBL3775982 0.89 SSTR5 (0.50) SSTR5SSTR1HRH1HTR2BNSD2
SCHEMBL3775646 0.86 SSTR5 (0.46) SSTR5SSTR1HRH1HTR2B
SCHEMBL3777216 0.85 SSTR5 (0.49) SSTR5SSTR1HRH1HTR2BACHE
SCHEMBL3780796 0.85 SSTR5 (0.49) SSTR5SSTR1HRH1HTR2BACHE
SCHEMBL3785418 0.84 SSTR5 (0.53) SSTR5SSTR1HRH1HTR2BACHE
SCHEMBL3775232 0.83 SSTR5 (0.62) SSTR5SSTR1HRH1HTR2B
SCHEMBL3770008 0.83 SSTR5 (0.59) SSTR5HRH1HTR2B
SCHEMBL3781057 0.83 SSTR5 (0.48) SSTR5HRH1HTR2BACHE
SCHEMBL3776433 0.83 SSTR5 (0.58) SSTR5SSTR1HRH1HTR2B

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 disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed