SCHEMBL5199698

SCHEMBL5199698

CCS(=O)(=O)Nc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 6/20 0.65
▸ DRD2 P14416 5/20 0.65
▸ DRD3 P35462 5/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ BCHE P06276 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HTR6 P50406 2/20 0.55
▸ LMNA P02545 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HTR2A P28223 1/20 0.49

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
SCHEMBL5198662 0.90 DRD4 (0.67) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5197511 0.89 DRD2 (0.61) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5197714 0.85 HTR7 (0.71) DRD4DRD2DRD3CYP2D6ALDH1A1
SCHEMBL14281102 0.81 DRD4 (0.80) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5196341 0.79 DRD2 (0.63) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5198717 0.78 DRD2 (1.00) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL18499093 0.78 L3MBTL1 (1.00) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5198113 0.78 DRD2 (0.80) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5198967 0.78 DRD4 (0.80) DRD4DRD2DRD3L3MBTL1BCHE
SCHEMBL5196816 0.78 DRD2 (0.71) 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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