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Sugi Predict / Compounds / SCHEMBL3634985

SCHEMBL3634985

SCHEMBL3634985

CCOc1cc(CN2CCC(N(c3ncc(-c4ccc(F)cc4)o3)N(c3ncc(-c4ccccc4)o3)C3CCN(Cc4cc(OCC)c(C)c(OCC)c4)CC3)CC2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 20/20 0.45
▸ KCNH2 Q12809 5/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ HRH1 P35367 1/20 0.40

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
SCHEMBL3631514 0.82 SSTR5 (0.42) SSTR5KCNH2SSTR3HRH1
SCHEMBL3640189 0.78 SSTR5 (0.62) SSTR5KCNH2HRH1
SCHEMBL3635908 0.76 SSTR5 (0.69) SSTR5HRH1
SCHEMBL4004390 0.75 SSTR5 (0.47) SSTR5KCNH2SSTR3HRH1
SCHEMBL3725485 0.74 SSTR5 (0.48) SSTR5KCNH2HRH1
SCHEMBL3632986 0.74 SSTR5 (0.57) SSTR5HRH1
SCHEMBL3633654 0.73 SSTR5 (0.56) SSTR5KCNH2SSTR3HRH1
SCHEMBL3635691 0.73 SSTR5 (0.46) SSTR5KCNH2SSTR3
SCHEMBL3635814 0.72 SSTR5 (0.68) SSTR5KCNH2HRH1
SCHEMBL3634851 0.72 SSTR5 (0.63) SSTR5KCNH2SSTR3HRH1

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 claimed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 — — WO claimed