SCHEMBL5198313

SCHEMBL5198313

CN(C)c1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.70
▸ DRD4 P21917 7/20 0.70
▸ DRD3 P35462 6/20 0.70
▸ CYP2D6 P10635 2/20 0.61
▸ BCHE P06276 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HTR6 P50406 1/20 0.58
▸ LMNA P02545 4/20 0.58
▸ HTT P42858 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ JAK2 O60674 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL5198644 0.83 DRD4 (0.71) DRD2DRD4DRD3CYP2D6HTR6
SCHEMBL5199492 0.81 DRD2 (0.67) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL14281102 0.78 DRD4 (0.80) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL5196816 0.78 DRD2 (0.71) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL5196341 0.78 DRD2 (0.63) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL22619024 0.77 DRD2 (0.63) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL5197511 0.77 DRD2 (0.61) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL5199113 0.76 DRD2 (0.66) DRD2DRD4DRD3CYP2D6BCHE
SCHEMBL5198777 0.76 DRD2 (0.67) DRD2DRD4DRD3CYP2D6L3MBTL1
SCHEMBL23964192 0.76 DRD4 (0.80) DRD2DRD4DRD3CYP2D6BCHE

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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