SCHEMBL21432995

SCHEMBL21432995

Cc1cn(CCNC(=O)OC(C)(C)C)c(C2CCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
DRD2 P14416 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
IGF1R P08069 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
CACNA1H O95180 1/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL21432804 0.90 DRD2 (0.38) EPHX1DRD2JAK2JAK1SIRT2
SCHEMBL21419083 0.89 EPHX1 (0.40) EPHX1DRD2JAK2JAK1SIRT2
SCHEMBL21432996 0.88 EPHX1 (0.39) EPHX1DRD2JAK2JAK1SIRT2
SCHEMBL1567661 0.85 EPHX1 (0.41) EPHX1DRD2JAK2JAK1SIRT2
SCHEMBL21419114 0.81 JAK2 (0.38) EPHX1DRD2JAK2JAK1SIRT2
SCHEMBL21419084 0.81 EPHX1 (0.43) EPHX1DRD2JAK2JAK1SIRT2
SCHEMBL21432992 0.78 DRD2 (0.45) DRD2ALDH1A1GFER
SCHEMBL15724297 0.77 KDM4E (0.33) ALDH1A1
SCHEMBL21419079 0.76 EPHX1 (0.41) EPHX1DRD2JAK2JAK1OPRM1
SCHEMBL21432422 0.75 FPR3 (0.35) EPHX1DRD2JAK2JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019191667-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-03 WO disclosed