SCHEMBL3972791

SCHEMBL3972791

CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC(CC)CC)c(OCC)c4)CC3)CC2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.51
HRH1 P35367 2/20 0.51
HTR2B P41595 1/20 0.51
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3977762 0.88 SSTR5 (0.52) SSTR5HRH1HTR2BKMT2AKDM4E
SCHEMBL3973186 0.80 SSTR5 (0.49) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL2417829 0.80 SSTR5 (0.56) SSTR5HRH1HTR2B
SCHEMBL3993879 0.78 SSTR5 (0.45) SSTR5HRH1HTR2BKMT2AKDM4E
SCHEMBL4000428 0.78 SSTR5 (0.56) SSTR5HRH1HTR2BKMT2AKDM4E
SCHEMBL3971809 0.78 SSTR5 (0.52) SSTR5HRH1HTR2B
SCHEMBL3974073 0.77 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL3977776 0.76 SSTR5 (0.50) SSTR5HRH1HTR2BKMT2AKDM4E
SCHEMBL4002214 0.76 SSTR5 (0.50) SSTR5HRH1HTR2BKMT2AKDM4E
SCHEMBL2419449 0.76 SSTR5 (0.69) 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-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