SCHEMBL3971835

SCHEMBL3971835

C=CCOc1cc(CN2CCC(N(c3ccc4cccc(Cl)c4n3)N(c3ccc4cccc(Cl)c4n3)C3CCN(Cc4ccc(OC)c(OCCC)c4)CC3)CC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.46
HRH1 P35367 2/20 0.39
HTR2B P41595 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALK Q9UM73 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL3973186 0.84 SSTR5 (0.49) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL2422484 0.80 SSTR5 (0.47) SSTR5HRH1HTR2BACHE
SCHEMBL2419838 0.80 SSTR5 (0.59) SSTR5HRH1HTR2BACHE
SCHEMBL3977626 0.79 SSTR5 (0.49) SSTR5HRH1HTR2BDRD2DRD4
SCHEMBL4702165 0.77 SSTR5 (0.46) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL3937223 0.77 SSTR5 (0.48) SSTR5HRH1HTR2BDRD2DRD4
SCHEMBL2417184 0.76 SSTR5 (0.54) SSTR5HRH1HTR2BACHE
SCHEMBL3977762 0.75 SSTR5 (0.52) SSTR5HRH1HTR2BMAPK1HSD17B10
SCHEMBL4002561 0.74 DRD2 (0.45) SSTR5HRH1HTR2BDRD2MEN1
SCHEMBL2420626 0.73 SSTR5 (0.58) SSTR5HRH1HTR2BACHE

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-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed