SCHEMBL7501987

SCHEMBL7501987

Fc1cccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 1.00
DRD4 P21917 8/20 1.00
DRD3 P35462 8/20 1.00
ALDH1A1 P00352 3/20 0.85
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
HSD17B10 Q99714 1/20 0.85
KDM4E B2RXH2 2/20 0.64
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.59

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
SCHEMBL7504470 0.91 DRD2 (1.00) DRD2DRD4DRD3ALDH1A1MEN1
Maleic Acid SCHEMBL7988476 0.90 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
Fumaric Acid SCHEMBL7988479 0.90 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7504970 0.84 DRD2 (1.00) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7502837 0.83 DRD2 (0.76) DRD2DRD4DRD3ALDH1A1MEN1
Fumaric Acid SCHEMBL7991247 0.82 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
Maleic Acid SCHEMBL7991244 0.82 DRD2 (0.81) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7500134 0.81 DRD2 (1.00) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7508845 0.81 DRD2 (1.00) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL7496929 0.80 DRD4 (1.00) DRD2DRD4DRD3ALDH1A1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP claimed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP claimed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 WO claimed
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP disclosed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 WO disclosed