SCHEMBL4958309

SCHEMBL4958309

CCOc1cc(CN2CCC(N(c3nc4cccnc4s3)N3CCC(Nc4nc5cccnc5s4)CC3)CC2)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.67
HRH1 P35367 4/20 0.52
HTR2B P41595 2/20 0.52
SSTR1 P30872 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4955178 0.91 SSTR5 (0.81) SSTR5HRH1HTR2BKCNH2
SCHEMBL3571929 0.90 SSTR5 (0.81) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4952476 0.86 SSTR5 (0.72) SSTR5HRH1HTR2BKCNH2
SCHEMBL4955761 0.84 SSTR5 (0.69) SSTR5HRH1HTR2B
SCHEMBL4958304 0.83 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4954442 0.83 SSTR5 (0.57) SSTR5HRH1HTR2B
SCHEMBL3570958 0.81 SSTR5 (1.00) SSTR5HRH1HTR2BKCNH2
SCHEMBL4955154 0.80 SSTR5 (0.58) SSTR5
SCHEMBL4958525 0.78 SSTR5 (0.65) SSTR5
SCHEMBL3580611 0.75 SSTR5 (0.84) SSTR5HRH1HTR2BSSTR1

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