SCHEMBL27748482

SCHEMBL27748482

CCOc1cc(CN2CCC(Nc3cc(OC(C)=O)nc(Cl)n3)CC2)cc(OCC)c1Br

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.47
SSTR1 P30872 2/20 0.47
KCNH2 Q12809 1/20 0.43
HRH1 P35367 2/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL27769504 0.91 SSTR5 (0.53) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL27769518 0.88 MCHR1 (0.46) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1748404 0.87 SSTR5 (0.47) SSTR5SSTR1HRH1HTR2B
SCHEMBL1748902 0.86 SSTR5 (0.47) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL1748270 0.85 SSTR5 (0.46) SSTR5SSTR1HRH1HTR2B
SCHEMBL27748485 0.85 SSTR5 (0.48) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL27769643 0.82 SSTR5 (0.42) SSTR5SSTR1KCNH2HRH1HTR2B
SCHEMBL28776964 0.81 SSTR5 (0.49) SSTR5SSTR1
SCHEMBL28781450 0.80 SSTR5 (0.42) SSTR5SSTR1HRH1HTR2B
SCHEMBL1748502 0.79 SSTR5 (0.54) SSTR5SSTR1HRH1HTR2B

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
CN-101479257-A Pyrimidine and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed