SCHEMBL4238258

SCHEMBL4238258

CCOc1cc(CN2CCC(Nc3nc(OC)nc(OC)n3)CC2)cc(OCC)c1-n1cccc1.COc1nc(NC2CCNCC2)nc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.49
HRH1 P35367 4/20 0.49
HTR2B P41595 2/20 0.46
KCNH2 Q12809 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL3778980 0.95 SSTR5 (0.53) SSTR5HRH1HTR2BACHE
SCHEMBL4231242 0.92 SSTR5 (0.50) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL4238563 0.89 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL4235419 0.87 SSTR5 (0.54) SSTR5HRH1HTR2BKCNH2
SCHEMBL4234199 0.87 SSTR5 (0.54) SSTR5HRH1HTR2BKCNH2
SCHEMBL4235821 0.87 SSTR5 (0.44) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL3781119 0.86 SSTR5 (0.54) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL4235753 0.84 SSTR5 (0.45) SSTR5HRH1HTR2BACHE
SCHEMBL4224881 0.84 SSTR5 (0.57) SSTR5HRH1HTR2BKCNH2
SCHEMBL3782226 0.83 SSTR5 (0.55) SSTR5HRH1HTR2B

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