SCHEMBL7674560

SCHEMBL7674560

FC(F)(F)c1cccc(N2CCN(CCCCCSc3ncccn3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.62
DRD3 P35462 6/20 0.62
ADRA1A P35348 4/20 0.62
SIGMAR1 Q99720 2/20 0.59
HTR7 P34969 7/20 0.59
HRH4 Q9H3N8 1/20 0.55
DRD5 P21918 1/20 0.54
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR6 P50406 2/20 0.53

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
SCHEMBL7047855 0.89 DRD2 (0.64) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL4608279 0.85 DRD2 (0.53) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL7047571 0.84 DRD2 (0.64) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL8129982 0.81 SIGMAR1 (0.70) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL11465528 0.81 SIGMAR1 (0.76) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL7677748 0.81 SIGMAR1 (0.54) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL12468732 0.80 DRD2 (0.54) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL7455896 0.80 SIGMAR1 (0.56) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL8128060 0.80 SIGMAR1 (0.71) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL1253143 0.79 SIGMAR1 (0.69) DRD2DRD3ADRA1ASIGMAR1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444674-B1 HIGH AFFINITY FOR THE DOPAMINE D3 RECEPTOR; SCHIZOPHRENIA, DEPRESSION, NEUROSES AND PSYCHOSES ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6342604-B1 TREATING SCHIZOPHRENIA, DEPRESSION, NEUROSES AND PSYCHOSES WHICH RESPOND TO DOPAMINE D3 LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2002-01-29 US disclosed