SCHEMBL7703489

SCHEMBL7703489

CCNCCCCCCCCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 7/20 0.45
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL7696748 0.85 L3MBTL1 (0.51) DRD4DRD2DRD3KDM4EHDAC1
SCHEMBL7692562 0.85 L3MBTL1 (0.51) DRD4DRD2DRD3KDM4EHDAC1
SCHEMBL7702285 0.85 L3MBTL1 (0.51) DRD4DRD2DRD3KDM4EHDAC1
SCHEMBL7693885 0.85 L3MBTL1 (0.51) DRD4DRD2DRD3KDM4EHDAC1
SCHEMBL7210942 0.83 NR5A1 (0.51) TP53
SCHEMBL9699146 0.83 NR5A1 (0.51) TP53
SCHEMBL4748690 0.83 NR5A1 (0.51) TP53
SCHEMBL4749149 0.83 NR5A1 (0.51) TP53
SCHEMBL4745433 0.83 NR5A1 (0.51) TP53
SCHEMBL4748293 0.83 NR5A1 (0.51) TP53

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
WO-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed