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SCHEMBL3933800

SCHEMBL3933800

CCOc1cc(CN2CCC(N(c3cc(Cl)nc(Cl)n3)N(c3cc(Cl)nc(Cl)n3)C3CCN(Cc4cc(OCC)c(Cl)c(OCC)c4)CC3)CC2)cc(OCC)c1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 20/20 0.44
▸ SSTR1 P30872 2/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ SSTR3 P32745 1/20 0.37
▸ HRH1 P35367 3/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL3938243 0.78 SSTR5 (0.42) SSTR5SSTR1HRH1HTR2B
SCHEMBL3973350 0.78 SSTR5 (0.43) SSTR5SSTR1KCNH2
SCHEMBL1748363 0.78 SSTR5 (0.58) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1748502 0.76 SSTR5 (0.54) SSTR5SSTR1HRH1HTR2B
SCHEMBL3978562 0.72 SSTR5 (0.42) SSTR5SSTR1HRH1HTR2B
SCHEMBL4232220 0.72 SSTR5 (0.46) SSTR5KCNH2SSTR3HRH1
SCHEMBL4232088 0.72 SSTR5 (0.44) SSTR5SSTR1KCNH2SSTR3HRH1
SCHEMBL3972896 0.71 SSTR5 (0.43) SSTR5KCNH2SSTR3
SCHEMBL3872371 0.70 SSTR5 (0.52) SSTR5KCNH2SSTR3
SCHEMBL3937223 0.70 SSTR5 (0.48) SSTR5HRH1HTR2B

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-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 — — EP disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — WO disclosed