SCHEMBL5177652

SCHEMBL5177652

CC(=O)N1CCN(Cc2cccc(-c3ccc(C(=O)O)cc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.62
MEN1 O00255 2/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
RECQL P46063 1/20 0.58
FAAH O00519 2/20 0.58
CHRM3 P20309 1/20 0.58
BCL2 P10415 1/20 0.57
KDR P35968 2/20 0.53
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
MGLL Q99685 1/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL1366240 0.87 BCL2 (0.59) MEN1LMNAKMT2AKDM4EALDH1A1
SCHEMBL27509958 0.85 CYP2D6 (0.69) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL13649187 0.84 HRH3 (0.60) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL4477670 0.82 HDAC1 (0.57) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL5543578 0.81 HRH3 (0.88) HRH3MEN1LMNAKMT2AALDH1A1
SCHEMBL13649188 0.80 HRH3 (0.55) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL20421120 0.78 HDAC1 (0.56) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL1943497 0.78 HRH3 (0.75) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL12660179 0.77 ALDH1A1 (0.72) HRH3MEN1LMNAKMT2AKDM4E
SCHEMBL19049378 0.77 HRH3 (0.60) HRH3MEN1LMNAKMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789417-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-30 EP claimed
WO-2006024487-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 WO claimed
EP-1789417-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-30 EP disclosed
WO-2006024487-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 WO disclosed