SCHEMBL3725485

SCHEMBL3725485

CCOc1cc(CN2CCC(N(c3nc(-c4ccccc4)no3)N(c3nc(-c4ccccc4)no3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.48
HRH1 P35367 3/20 0.48
HTR2B P41595 1/20 0.48
S1PR1 P21453 3/20 0.45
SSTR1 P30872 1/20 0.44
KCNH2 Q12809 2/20 0.41
ACHE P22303 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL3634902 0.79 SSTR5 (0.67) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3638623 0.78 SSTR5 (0.67) SSTR5HRH1HTR2B
SCHEMBL4004390 0.77 SSTR5 (0.47) SSTR5HRH1KCNH2
SCHEMBL4000512 0.76 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3634985 0.74 SSTR5 (0.45) SSTR5HRH1KCNH2
SCHEMBL3727948 0.73 SSTR5 (0.49) SSTR5HRH1HTR2BS1PR1ACHE
SCHEMBL3997486 0.73 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3977776 0.73 SSTR5 (0.50) SSTR5HRH1HTR2B
SCHEMBL3639902 0.72 SSTR5 (0.42) SSTR5HRH1HTR2BSSTR1
SCHEMBL1873099 0.71 SSTR5 (0.61) SSTR5HRH1HTR2BSSTR1KCNH2

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-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed