SCHEMBL5134443

SCHEMBL5134443

c1ccc(Nc2nnc(-c3nccc4ccccc34)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
KDM4E B2RXH2 4/20 0.64
GSK3B P49841 5/20 0.55
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
NPC1 O15118 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11987279 0.72 RAB9A (0.57) RAB9AKDM4ENPC1L3MBTL1GPR55
SCHEMBL455366 0.72 GSK3B (1.00) RAB9AKDM4EGSK3BACHENPC1
SCHEMBL12630024 0.70 GSK3B (0.56) RAB9AKDM4EGSK3BACHENPC1
SCHEMBL27837899 0.70 GSK3B (0.81) RAB9AKDM4EGSK3BACHENPC1
SCHEMBL12076780 0.70 MAPT (0.50) RAB9AKDM4EGSK3BNPC1L3MBTL1
SCHEMBL29808284 0.70 MAPT (0.50) RAB9AKDM4EGSK3BNPC1L3MBTL1
SCHEMBL2179323 0.69 CDC7 (0.69) RAB9AKDM4EBCL2
SCHEMBL3490613 0.69 GSK3B (0.58) RAB9AKDM4EGSK3BACHEBCHE
SCHEMBL27855690 0.69 GSK3B (0.63) RAB9AKDM4EGSK3BNPC1L3MBTL1
SCHEMBL29923403 0.69 PLAU (0.60) RAB9AKDM4EBCHENPC1L3MBTL1

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-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO disclosed