SCHEMBL4227035

SCHEMBL4227035

CCOc1cc(CN2CCC(C3CC(N(N)c4ncc5c(n4)C(C)(C)OC5(C)C)CCN3c3ncc4c(n3)C(C)(C)OC4(C)C)CC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.40
HRH1 P35367 6/20 0.40
HTR2B P41595 2/20 0.40
SSTR1 P30872 1/20 0.36
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4224213 0.88 SSTR5 (0.32) SSTR5HRH1HTR2B
SCHEMBL4226461 0.85
SCHEMBL4234149 0.84 SSTR5 (0.34) SSTR5HRH1HTR2BKCNH2
SCHEMBL4227033 0.79 SSTR5 (0.45) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4234813 0.78 SSTR5 (0.40) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4227031 0.77 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3771895 0.76 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4237980 0.74 SLC2A1 (0.42) SSTR5HRH1HTR2BSSTR1
Hydrochloric Acid SCHEMBL4375373 0.71 SSTR5 (0.40) SSTR5HRH1HTR2BKCNH2
SCHEMBL4233683 0.71 SSTR5 (0.37) 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-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed