SCHEMBL3132276

SCHEMBL3132276

c1ccc(CN2CCC(n3cnc4ccccc43)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.67
SLC6A4 P31645 1/20 0.67
AKT1 P31749 2/20 0.60
DRD4 P21917 6/20 0.58
DRD3 P35462 6/20 0.58
JAK2 O60674 2/20 0.57
JAK1 P23458 2/20 0.57
TYK2 P29597 2/20 0.57
JAK3 P52333 2/20 0.57
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
KMT2A Q03164 1/20 0.53
TNF P01375 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ACHE P22303 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CTSS P25774 1/20 0.51
HTR6 P50406 1/20 0.49

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
SCHEMBL31587416 0.86 DRD2 (0.61) DRD2SLC6A4AKT1DRD4DRD3
SCHEMBL27651223 0.83 AKT1 (0.55) DRD2SLC6A4AKT1DRD4DRD3
SCHEMBL8460693 0.82 ACHE (0.65) DRD2SLC6A4DRD4DRD3JAK2
SCHEMBL3754922 0.81 DRD2 (0.65) DRD2SLC6A4AKT1DRD4DRD3
SCHEMBL3602016 0.81 DRD2 (0.55) DRD2SLC6A4AKT1DRD4DRD3
SCHEMBL3576018 0.80 HRH3 (0.61) DRD2SLC6A4ACHE
SCHEMBL432010 0.80 DRD2 (0.65) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL3746308 0.80 DRD2 (0.62) DRD2SLC6A4AKT1DRD4DRD3
SCHEMBL5858616 0.79 DRD2 (0.69) DRD2SLC6A4AKT1OPRM1OPRL1
SCHEMBL3752313 0.79 DRD2 (0.61) DRD2SLC6A4AKT1DRD4DRD3

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
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed