SCHEMBL7328638

SCHEMBL7328638

Cc1ccc(OCC[NH])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 0.53
WDR5 P61964 1/20 0.50
KCNH2 Q12809 3/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL313373 0.85 DRD2 (0.64) DRD2DRD4DRD3L3MBTL1WDR5
SCHEMBL5929468 0.82 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL3805304 0.82 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL11104455 0.81 CA12 (0.52) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL9011831 0.80 DRD2 (0.65) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL9011652 0.80 DRD2 (0.65) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL12570291 0.78 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1WDR5
SCHEMBL4239666 0.78 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1WDR5
SCHEMBL109524 0.78 DRD2 (0.63) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL21185868 0.78 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed