SCHEMBL5196142

SCHEMBL5196142

CSc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 9/20 0.74
▸ DRD2 P14416 8/20 0.74
▸ DRD3 P35462 8/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ HTR7 P34969 1/20 0.69
▸ BCHE P06276 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ HTR6 P50406 1/20 0.62
▸ LMNA P02545 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ GAA P10253 1/20 0.61
▸ POLB P06746 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ JAK2 O60674 1/20 0.56
▸ RAB9A P51151 1/20 0.56

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
SCHEMBL14281102 0.86 DRD4 (0.80) DRD4DRD2DRD3L3MBTL1HTR7
SCHEMBL5198967 0.84 DRD4 (0.80) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL18499093 0.84 L3MBTL1 (1.00) DRD4DRD2DRD3L3MBTL1HTR7
SCHEMBL5198113 0.84 DRD2 (0.80) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5198717 0.84 DRD2 (1.00) DRD4DRD2DRD3L3MBTL1HTR7
SCHEMBL5199201 0.81 HTR7 (1.00) DRD4DRD2DRD3HTR7CYP2D6
SCHEMBL23964192 0.81 DRD4 (0.80) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5196816 0.81 DRD2 (0.71) DRD4DRD2DRD3L3MBTL1HTR7
SCHEMBL5198132 0.81 LMNA (0.72) DRD4DRD2DRD3L3MBTL1HTR7
SCHEMBL5198662 0.78 DRD4 (0.67) DRD4DRD2DRD3L3MBTL1BCHE

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-1815866-A1 REMEDY OR PREVENTIVE FOR ISCHEMIC CARDIAC DISEASE OR ISCHEMIC CARDIAC MYOPATHY Neugen Pharma, Inc (JP) 2007-08-08 — — EP disclosed
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