SCHEMBL650857

SCHEMBL650857

C[C@H](c1ccccc1)N1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.51
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
USP30 Q70CQ3 4/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR5 P51681 1/20 0.44
STS P08842 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL650351 1.00 GPR119 (0.51) GPR119JAK2JAK1USP30NPC1
SCHEMBL929459 0.91 GPR119 (0.54) GPR119JAK2JAK1USP30NPC1
SCHEMBL1586797 0.91 GPR119 (0.54) GPR119JAK2JAK1USP30NPC1
SCHEMBL1586795 0.91 GPR119 (0.54) GPR119JAK2JAK1USP30NPC1
SCHEMBL8147886 0.87 CYP2D6 (0.43) HTTCCR5
SCHEMBL17228502 0.86 GPR119 (0.48) GPR119JAK2JAK1USP30NPC1
SCHEMBL29974053 0.85 TSHR (0.49) NPC1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL653593 0.85 TSHR (0.49) NPC1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL653594 0.85 TSHR (0.49) NPC1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL7687290 0.84 CCR5 (0.42) ALDH1A1MAPK1HTTCCR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed