SCHEMBL4953002

SCHEMBL4953002

CCOc1cc(CN2CCC(C3CC(N(N)c4nc5cc(OC(F)(F)F)ccc5o4)CCN3c3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.49
HRH1 P35367 8/20 0.43
HTR2B P41595 1/20 0.43
SSTR1 P30872 3/20 0.36
TEAD1 P28347 2/20 0.35
KCNH2 Q12809 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
SCHEMBL4955770 0.92 SSTR5 (0.60) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4952100 0.92 SSTR5 (0.48) SSTR5HRH1SSTR1KCNH2
SCHEMBL4958195 0.83 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4957108 0.82 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4953000 0.80 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4955267 0.79 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4952997 0.78 SSTR5 (0.60) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4946999 0.76 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4956829 0.76 SSTR5 (0.45) SSTR5HRH1HTR2B
SCHEMBL3580190 0.75 SSTR5 (0.83) 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