SCHEMBL4235753

SCHEMBL4235753

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.45
HRH1 P35367 4/20 0.45
HTR2B P41595 3/20 0.45
MCHR1 Q99705 1/20 0.41
ACHE P22303 3/20 0.40
BACE1 P56817 2/20 0.40
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3778597 0.94 SSTR5 (0.49) SSTR5HRH1HTR2BMCHR1ACHE
SCHEMBL4224514 0.91 SSTR5 (0.45) SSTR5HRH1HTR2BMCHR1ACHE
SCHEMBL4238432 0.88 SSTR5 (0.46) SSTR5HRH1HTR2BMCHR1ACHE
SCHEMBL4235821 0.87 SSTR5 (0.44) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL4234199 0.87 SSTR5 (0.54) SSTR5HRH1HTR2B
SCHEMBL4235419 0.85 SSTR5 (0.54) SSTR5HRH1HTR2B
SCHEMBL4238258 0.84 SSTR5 (0.49) SSTR5HRH1HTR2BACHE
SCHEMBL3775060 0.84 SSTR5 (0.49) SSTR5HRH1HTR2BMCHR1ACHE
SCHEMBL4224881 0.84 SSTR5 (0.57) SSTR5HRH1HTR2B
SCHEMBL4238115 0.82 SSTR5 (0.54) SSTR5

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 2 patents. 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
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed