SCHEMBL4229157

SCHEMBL4229157

CCOc1cc(CN2CCC(Nc3ncc(CC)cn3)CC2)cc(OCC)c1F.CCc1cnc(NC2CCNCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.53
KCNH2 Q12809 3/20 0.47
HRH1 P35367 2/20 0.43
HTR2B P41595 1/20 0.41
SSTR3 P32745 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
SCHEMBL3784112 0.94 SSTR5 (0.58) SSTR5KCNH2HRH1HTR2B
SCHEMBL4227516 0.88 SSTR5 (0.42) SSTR5KCNH2HRH1HTR2B
SCHEMBL4234203 0.88 SSTR5 (0.56) SSTR5KCNH2HRH1HTR2B
SCHEMBL4234442 0.87 SSTR5 (0.55) SSTR5HRH1HTR2B
SCHEMBL4227219 0.87 SSTR5 (0.56) SSTR5KCNH2HRH1HTR2B
SCHEMBL4237604 0.86 SSTR5 (0.55) SSTR5KCNH2HRH1HTR2B
SCHEMBL4229267 0.85 SSTR5 (0.54) SSTR5KCNH2HRH1HTR2B
SCHEMBL4230094 0.85 SSTR5 (0.40) SSTR5HRH1HTR2B
SCHEMBL4052447 0.85 SSTR5 (0.47) SSTR5KCNH2HRH1HTR2BSSTR3
SCHEMBL4234199 0.85 SSTR5 (0.54) SSTR5KCNH2HRH1HTR2B

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