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SCHEMBL4955267

SCHEMBL4955267

CCOc1cc(CN2CCC(C3CC(N(N)c4nc5ccccc5o4)CCN3c3nc4ccccc4o3)CC2)cc(OCC)c1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 17/20 0.55
▸ HRH1 P35367 5/20 0.43
▸ HTR2B P41595 3/20 0.43
▸ SSTR1 P30872 1/20 0.42
▸ CXCR3 P49682 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36

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
SCHEMBL4946999 0.92 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1CXCR3
SCHEMBL4953711 0.88 SSTR5 (0.45) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956137 0.83 SSTR5 (0.48) SSTR5HRH1HTR2B
SCHEMBL4952100 0.82 SSTR5 (0.48) SSTR5HRH1SSTR1KCNH2
SCHEMBL4955524 0.82 SSTR5 (0.44) SSTR5HRH1HTR2BKCNH2
SCHEMBL4956814 0.80 SSTR5 (0.41) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956829 0.80 SSTR5 (0.45) SSTR5HRH1HTR2B
SCHEMBL4956273 0.80 SSTR5 (0.47) SSTR5HRH1HTR2B
SCHEMBL4958195 0.80 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4957108 0.80 SSTR5 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 — — EP disclosed