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SCHEMBL4700142

SCHEMBL4700142

CCCCCOc1ccc(CN2CCC(Nc3ncc(-c4ccccc4)cn3)CC2)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 15/20 0.50
▸ HRH1 P35367 3/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ ACHE P22303 1/20 0.46
▸ EHMT2 Q96KQ7 4/20 0.46

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
SCHEMBL3782856 0.89 SSTR5 (0.62) SSTR5HRH1HTR2BACHE
SCHEMBL4700377 0.89 SSTR5 (0.55) SSTR5HRH1HTR2BACHE
SCHEMBL3787756 0.86 SSTR5 (0.51) SSTR5HRH1HTR2BACHE
SCHEMBL3776903 0.86 SSTR5 (0.61) SSTR5HRH1HTR2BACHE
SCHEMBL3782537 0.86 SSTR5 (0.63) SSTR5HRH1HTR2BACHE
SCHEMBL3781123 0.86 SSTR5 (0.61) SSTR5HRH1HTR2BACHE
SCHEMBL3780355 0.86 SSTR5 (0.50) SSTR5HRH1HTR2BACHE
SCHEMBL3775258 0.85 SSTR5 (0.62) SSTR5HRH1HTR2BACHE
SCHEMBL3776264 0.85 SSTR5 (0.61) SSTR5HRH1HTR2BACHE
SCHEMBL3775944 0.83 SSTR5 (0.50) SSTR5HRH1HTR2BACHE

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