SCHEMBL4756327

SCHEMBL4756327

CCOc1cc(CN2CCC(Nc3nc(N)nc(OC)n3)CC2)cc(OCC)c1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.54
KCNH2 Q12809 1/20 0.51
HRH1 P35367 3/20 0.45
HTR2B P41595 1/20 0.45
NSD2 O96028 1/20 0.44
SSTR1 P30872 1/20 0.44

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
SCHEMBL3770008 0.93 SSTR5 (0.59) SSTR5KCNH2HRH1HTR2B
SCHEMBL4756346 0.90 SSTR5 (0.49) SSTR5HRH1HTR2BNSD2SSTR1
SCHEMBL3785338 0.89 SSTR5 (0.55) SSTR5KCNH2HRH1HTR2BNSD2
SCHEMBL4234199 0.88 SSTR5 (0.54) SSTR5KCNH2HRH1HTR2B
SCHEMBL3782763 0.86 SSTR5 (0.60) SSTR5KCNH2HRH1HTR2B
SCHEMBL3777231 0.86 SSTR5 (0.50) SSTR5KCNH2HRH1HTR2B
SCHEMBL3770113 0.85 SSTR5 (0.51) SSTR5KCNH2HRH1HTR2B
SCHEMBL3773095 0.85 SSTR5 (0.51) SSTR5KCNH2HRH1HTR2B
SCHEMBL3767663 0.84 SSTR5 (0.53) SSTR5KCNH2HRH1HTR2BSSTR1
SCHEMBL3781057 0.83 SSTR5 (0.48) SSTR5KCNH2HRH1HTR2B

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