SCHEMBL9703843

SCHEMBL9703843

C1=C(c2cccs2)CCN(CCC2CCC(c3c[nH]c4ccccc34)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1D P25100 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL9703793 0.86 DRD2 (0.56) DRD2DRD4DRD3
SCHEMBL9705545 0.81 DRD2 (0.64) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL10574063 0.76 SIGMAR1 (0.60) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10578390 0.74 HTR1A (0.51) DRD2HTR1AHTR2ASIGMAR1
SCHEMBL9367259 0.72 SIGMAR1 (0.49) DRD2DRD4DRD3SIGMAR1
SCHEMBL7700873 0.70 ADRA1D (0.65) DRD2DRD4DRD3ADRA1D
SCHEMBL9703330 0.69 DRD2 (0.81) DRD2DRD4DRD3ADRA1D
SCHEMBL9703331 0.68 DRD2 (1.00) DRD2DRD4DRD3ADRA1D
SCHEMBL10744763 0.68 DRD1 (0.43) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10577937 0.67 SIGMAR1 (0.59) DRD2HTR1AHTR2ASIGMAR1

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
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 WO claimed
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 WO disclosed
US-5124332-A Dopaminergic agents, hypotensive agents WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed