SCHEMBL6968933

SCHEMBL6968933

Cc1ccc(OCCCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.53
▸ DRD4 P21917 6/20 0.53
▸ DRD3 P35462 6/20 0.53
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.43

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
SCHEMBL10745573 0.90 GAA (0.58) DRD2DRD4DRD3GAAL3MBTL1
SCHEMBL16808226 0.84 DRD2 (0.63) DRD2DRD4DRD3GAAALDH1A1
SCHEMBL3805304 0.80 DRD2 (0.68) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL5929468 0.80 DRD2 (0.68) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL25433144 0.80 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL14844426 0.80 LTA4H (0.53) DRD2DRD4DRD3GAA
SCHEMBL6746156 0.80 GAA (0.47) GAAALDH1A1
SCHEMBL21051903 0.80 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6437358 0.80 GAA (0.47) DRD2DRD4DRD3GAAL3MBTL1
SCHEMBL7501215 0.79 KCNA3 (0.62) DRD2DRD4DRD3GAAALDH1A1

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-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 — — EP disclosed
US-5955616-A PROSTAGLANDIN INHIBITORS SHIONOGI & CO., LTD. (JP) 1999-09-21 — — US disclosed
EP-0848004-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-06-17 — — EP disclosed
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