SCHEMBL8778598

SCHEMBL8778598

[CH2]CCCCCCCOc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.55
DRD4 P21917 6/20 0.55
DRD3 P35462 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 2/20 0.47
GAA P10253 1/20 0.46
NR5A1 Q13285 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1045912 1.00 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL11428669 1.00 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL1044318 0.98 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL1047209 0.91 DRD2 (0.59) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL9011652 0.89 DRD2 (0.65) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL9011831 0.89 DRD2 (0.65) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL3805304 0.87 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL8458055 0.85 NR5A1 (0.62) GAANR5A1
SCHEMBL1047647 0.85 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL6748734 0.83 MAPT (0.51) DRD2DRD4DRD3L3MBTL1KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed
WO-1992001447-A1 2-CYCLOPROPYLACETIC ACID DERIVATIVES SANDOZ LTD. (CH) 1992-02-06 WO claimed
WO-1992001447-A1 2-CYCLOPROPYLACETIC ACID DERIVATIVES SANDOZ LTD. (CH) 1992-02-06 WO disclosed