SCHEMBL5797780

SCHEMBL5797780

NC(=O)NCC1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
FDPS P14324 1/20 0.40
IKBKB O14920 2/20 0.39
FPR3 P25089 2/20 0.39
FPR2 P25090 2/20 0.39
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
PBK Q96KB5 2/20 0.36
OPRK1 P41145 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1F O60840 1/20 0.36
LMNA P02545 1/20 0.36
KCNA5 P22460 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL29499886 1.00 TDP1 (0.50) TDP1DRD2DRD3FDPSIKBKB
SCHEMBL29499889 1.00 TDP1 (0.50) TDP1DRD2DRD3FDPSIKBKB
SCHEMBL29499897 1.00 TDP1 (0.50) TDP1DRD2DRD3FDPSIKBKB
SCHEMBL29499904 0.94 TDP1 (0.48) TDP1FDPSFPR3FPR2SCN9A
SCHEMBL29499910 0.94 TDP1 (0.48) TDP1FDPSFPR3FPR2SCN9A
SCHEMBL2937827 0.82 CYP2D6 (0.42) DRD2DRD3FDPSIKBKBFPR3
SCHEMBL3335001 0.82 CYP2D6 (0.42) DRD2DRD3FDPSIKBKBFPR3
SCHEMBL14919306 0.82 CYP2D6 (0.42) DRD2DRD3FDPSIKBKBFPR3
SCHEMBL12133584 0.81 DRD2 (0.38) DRD2DRD3FDPSIKBKBFPR3
SCHEMBL4164000 0.81 DRD2 (0.42) DRD2DRD3FDPSIKBKBFPR3

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
WO-2006071035-A1 NOVEL ([1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-CARBOXAMIDE DERIVATIVES LG LIFE SCIENCES, LTD. (KR) 2006-07-06 WO claimed
WO-2006071035-A1 NOVEL ([1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-CARBOXAMIDE DERIVATIVES LG LIFE SCIENCES, LTD. (KR) 2006-07-06 WO disclosed