SCHEMBL8518554

SCHEMBL8518554

CCCC(NC(=O)c1ccc2[nH]c3ccccc3c2c1)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.46
FAAH O00519 2/20 0.46
DRD2 P14416 14/20 0.45
DRD4 P21917 9/20 0.45
HTR2A P28223 5/20 0.45
HTR1A P08908 4/20 0.45
HTR2C P28335 2/20 0.45
KCNH2 Q12809 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.41

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
Hydrochloric Acid SCHEMBL7893196 0.99 DRD3 (0.45) DRD3FAAHDRD2DRD4HTR2A
SCHEMBL8520327 0.95 DRD3 (0.49) DRD3FAAHDRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL7895543 0.94 DRD3 (0.49) DRD3FAAHDRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL8406541 0.88 DRD2 (0.42) DRD3DRD2DRD4HTR2AHTR1A
Hydrochloric Acid SCHEMBL7896738 0.87 IMPDH2 (0.42) DRD3FAAHDRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL7896735 0.87 IMPDH2 (0.42) DRD3FAAHDRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL7892080 0.86 POLB (0.47) DRD3DRD2ADRA1A
SCHEMBL7650118 0.86 DRD2 (0.43) DRD3DRD2DRD4HTR2AHTR1A
Hydrochloric Acid SCHEMBL7893205 0.86 MAPT (0.47) DRD3DRD2DRD4HTR2AHTR1A
SCHEMBL7885716 0.86 MAPT (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923574-A1 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-06-23 EP disclosed
WO-1998006717-A9 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS 1998-07-23 WO disclosed
WO-1998006717-A1 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-02-19 WO disclosed