SCHEMBL14037239

SCHEMBL14037239

Cc1ccc(OCCI)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
KCNH2 Q12809 3/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
WDR5 P61964 1/20 0.45
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
SCHEMBL13246324 0.88 DRD2 (0.59) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL24854638 0.87 KCNA3 (0.46) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL17742763 0.87 DRD2 (0.48) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL313373 0.85 DRD2 (0.64) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL3805304 0.82 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL5929468 0.82 DRD2 (0.68) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL16557646 0.81 DRD2 (0.52) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL6516595 0.81 L3MBTL1 (0.59) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL16404846 0.80 DRD2 (0.50) DRD2DRD4DRD3L3MBTL1KCNH2
SCHEMBL9011831 0.80 DRD2 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990335-A1 17 BETA HSD TYPE 5 INHIBITOR Astellas Pharma Inc. (JP) 2008-11-12 EP disclosed