SCHEMBL5063124

SCHEMBL5063124

Cc1ccn2nc(C3CC3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PDE10A Q9Y233 3/20 0.35
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CG P48736 2/20 0.31
HPGD P15428 1/20 0.31
AHR P35869 1/20 0.31
KCNT1 Q5JUK3 3/20 0.31

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
SCHEMBL5063007 0.80 ALDH1A1 (0.35) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL31001923 0.77 KCNT1 (0.32) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL31001898 0.77 RBP4 (0.35) KDM4EALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL545249 0.76 KDM4E (0.50) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL31001944 0.74 MAPT (0.36) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL2749583 0.72 RAB9A (0.58) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL5061096 0.72 PDE10A (0.34) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3132802 0.72 KDM4E (0.39) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL16478033 0.72 PIK3CG (0.50) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL17232699 0.71 DYRK1A (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP claimed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP claimed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed
EP-1965211-A1 METHOD OF DETECTING SUGAR CHAIN HAVING GlcNAc TRANSFERRED BY GnT-V J-Oil Mills, Inc. (JP) 2008-09-03 EP disclosed
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed