SCHEMBL645892

SCHEMBL645892

CN1CCN(CC2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
CACNA2D1 P54289 1/20 0.51
CACNA1B Q00975 1/20 0.51
CACNB1 Q02641 1/20 0.51
CACNA1C Q13936 1/20 0.51
CHRNA7 P36544 1/20 0.50
KCNH2 Q12809 1/20 0.49
DRD4 P21917 2/20 0.48
HTR1A P08908 2/20 0.46
HTR7 P34969 1/20 0.46
MC4R P32245 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL24834707 0.86 MAPT (0.47) DRD2DRD3CACNA2D1CACNA1BCACNB1
SCHEMBL24233918 0.85 MBTD1 (0.56) DRD2DRD3SLC6A2SLC6A4CHRNA7
SCHEMBL11084741 0.84 DRD2 (0.67) DRD2DRD3SIGMAR1SLC6A2SLC6A4
SCHEMBL27365078 0.84 ALDH1A1 (0.41) DRD2DRD3CACNA2D1CACNA1BCACNB1
SCHEMBL645747 0.84 NPC1 (0.50) DRD2SIGMAR1KCNH2DRD4HTR1A
SCHEMBL521039 0.84 MAPT (0.62) CACNA2D1CACNA1BCACNB1CACNA1CKCNH2
SCHEMBL644789 0.83 BPTF (0.56) DRD2KCNH2HTR1AHTR7
SCHEMBL27364621 0.83 MAPT (0.47) DRD2DRD3CACNA2D1CACNA1BCACNB1
SCHEMBL22848094 0.81 DRD2 (0.59) DRD2DRD3SIGMAR1SLC6A2SLC6A4
SCHEMBL13648737 0.81 DRD2 (0.59) DRD2DRD3SIGMAR1SLC6A2SLC6A4

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
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed