SCHEMBL3996771

SCHEMBL3996771

CCCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC)c(OC(C)C)c4)CC3)CC2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.43
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LRRK2 Q5S007 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3997966 0.84 SSTR5 (0.44) SSTR5KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL3999698 0.82 SSTR5 (0.45) SSTR5TSHRHTTMAPK1KDM4E
SCHEMBL3998650 0.81 SSTR5 (0.47) SSTR5TSHRHTTMAPK1KDM4E
SCHEMBL1877555 0.79 SSTR5 (0.57) SSTR5HRH1HTR2B
SCHEMBL1878817 0.79 SSTR5 (0.46) SSTR5HTTHRH1HTR2B
SCHEMBL4001646 0.77 KDM4E (0.43) SSTR5TSHRHTTMAPK1KDM4E
SCHEMBL4001649 0.74 SSTR5 (0.50) SSTR5TSHRHTTMAPK1KDM4E
SCHEMBL4002203 0.74 SSTR5 (0.53) SSTR5ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3997523 0.72 SSTR5 (0.45) SSTR5MAPK1KDM4EALDH1A1KMT2A
SCHEMBL1877068 0.72 SSTR5 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO claimed