SCHEMBL20139993

SCHEMBL20139993

Cc1cccc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.54
DRD4 P21917 10/20 0.54
HTR1A P08908 9/20 0.54
KDM5A P29375 1/20 0.52
KCNH2 Q12809 4/20 0.50
MAP4K4 O95819 1/20 0.44
CNR2 P34972 2/20 0.43
IDO1 P14902 1/20 0.42
HHAT Q5VTY9 2/20 0.41
LMNA P02545 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
OPRM1 P35372 1/20 0.40

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
SCHEMBL20139964 0.91 KDM5A (0.58) DRD2DRD4HTR1AKDM5AKCNH2
SCHEMBL1740301 0.84 KDM5A (0.48) DRD2DRD4HTR1AKDM5AKCNH2
SCHEMBL29556164 0.83 CNR2 (0.41) DRD2DRD4HTR1AKDM5AKCNH2
SCHEMBL15140526 0.83 CNR2 (0.41) DRD2DRD4HTR1AKDM5AKCNH2
SCHEMBL3737375 0.82 DRD4 (0.39) DRD2DRD4HTR1AKDM5AKCNH2
SCHEMBL29924785 0.82 UBE2M (0.41) DRD2DRD4HTR1AKDM5ACNR2
SCHEMBL20266326 0.82 UBE2M (0.41) DRD2DRD4HTR1AKDM5ACNR2
SCHEMBL29668662 0.82 HTR1A (0.50) DRD2DRD4HTR1AKDM5AKCNH2
SCHEMBL9943901 0.82 CNR2 (0.49) DRD2DRD4HTR1AKDM5ACNR2
SCHEMBL21597925 0.81 HTR1A (0.53) DRD2DRD4HTR1AKCNH2LMNA

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed