SCHEMBL7518873

SCHEMBL7518873

C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1cccc(S(C)(=O)=O)c1.Cc1cccc([C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1S

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
NR1H2 P55055 8/20 0.45
NR1H3 Q13133 7/20 0.45
SIGMAR1 Q99720 1/20 0.41
DRD3 P35462 1/20 0.40
SCN4A P35499 2/20 0.39
CCR5 P51681 1/20 0.39
CHRM4 P08173 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL7130861 0.89 DRD2 (0.69) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7130854 0.89 DRD2 (0.69) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7130859 0.89 DRD2 (0.69) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7141126 0.85 SIGMAR1 (0.48) SIGMAR1SCN4A
SCHEMBL7141118 0.85 SIGMAR1 (0.48) SIGMAR1SCN4A
SCHEMBL7518870 0.82 DRD2 (0.60) DRD2NR1H2NR1H3SIGMAR1DRD3
SCHEMBL7137397 0.75 DRD2 (0.68) DRD2SIGMAR1DRD3
SCHEMBL7137390 0.75 DRD2 (0.68) DRD2SIGMAR1DRD3
SCHEMBL7137393 0.75 DRD2 (0.68) DRD2SIGMAR1DRD3
SCHEMBL13406114 0.74 ACHE (0.58) DRD2SIGMAR1CCR5

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
EP-1240141-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046144-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed