SCHEMBL4634860

SCHEMBL4634860

CCN(C(=O)c1ccccc1)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.57
KCNH2 Q12809 3/20 0.57
SLC6A2 P23975 8/20 0.54
SLC6A3 Q01959 6/20 0.54
OPRD1 P41143 2/20 0.52
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
KDM5A P29375 1/20 0.48
MBTPS1 Q14703 2/20 0.47
HSD11B1 P28845 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL13434090 0.89 L3MBTL1 (0.51) OPRD1OPRM1KDM5AHSD11B1CHRM2
Hydrochloric Acid SCHEMBL7136730 0.87 SLC6A4 (0.71) SLC6A4KCNH2SLC6A2SLC6A3OPRD1
SCHEMBL4139952 0.84 L3MBTL1 (0.62) SLC6A4SLC6A2HSD11B1L3MBTL1
SCHEMBL5599731 0.82 HSD11B1 (0.46) OPRD1OPRM1KDM5AHSD11B1CHRM2
SCHEMBL3809371 0.80 SLC6A4 (0.51) SLC6A4KCNH2SLC6A2SLC6A3OPRD1
SCHEMBL4027887 0.79 L3MBTL1 (0.57) SLC6A4KCNH2SLC6A2SLC6A3L3MBTL1
SCHEMBL27753862 0.79 SLC6A4 (0.51) SLC6A4KCNH2SLC6A2SLC6A3OPRD1
SCHEMBL1290745 0.78 SLC6A4 (0.42) SLC6A4KCNH2SLC6A2SLC6A3OPRD1
SCHEMBL16655923 0.77 NPC1 (0.56) SLC6A4KCNH2SLC6A2SLC6A3L3MBTL1
SCHEMBL13434087 0.77 HPGD (0.49) SLC6A4KCNH2KDM5AL3MBTL1

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-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP claimed