SCHEMBL5778161

SCHEMBL5778161

O=c1[nH]cccc1CN1CCC(CC(O)c2nccs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CBLB Q13191 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL5780374 0.79 DRD2 (0.42) RAB9AJAK2JAK1TYK2JAK3
SCHEMBL5778158 0.79 CACNA2D1 (0.39) RAB9A
SCHEMBL5783601 0.78 SLC6A2 (0.36) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL5783597 0.74 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL5800036 0.74 RAB9A (0.34) RAB9ACBLBJAK2JAK1TYK2
SCHEMBL5784278 0.74 DRD2 (0.42) RAB9AJAK2JAK1TYK2JAK3
SCHEMBL5781204 0.74 DRD2 (0.38) JAK2JAK1TYK2JAK3DRD2
SCHEMBL5781228 0.74 CCR3 (0.43)
SCHEMBL5783782 0.72 DCPS (0.36) JAK2JAK1TYK2JAK3DRD2
SCHEMBL5782499 0.72 DRD2 (0.47) L3MBTL1DRD2DRD4DRD3

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed