SCHEMBL9705545

SCHEMBL9705545

C1=C(c2ccccn2)CCN(CCC2CCC(c3c[nH]c4ccccc34)CC2)C1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.64
DRD3 P35462 2/20 0.64
DRD4 P21917 2/20 0.64
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45

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) DRD2DRD3DRD4
SCHEMBL9703843 0.81 DRD2 (0.52) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL9773113 0.79 DRD2 (0.57) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL9703331 0.78 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL9703330 0.77 DRD2 (0.81) DRD2DRD3DRD4
SCHEMBL9204778 0.74 DRD2 (0.54) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL7700873 0.70 ADRA1D (0.65) DRD2DRD3DRD4SLC6A4
SCHEMBL9703158 0.69 DRD2 (0.81) DRD2DRD3DRD4HTR1A
SCHEMBL9703250 0.68 DRD2 (0.79) DRD2DRD3DRD4HTR1A
SCHEMBL9703912 0.68 DRD2 (0.79) DRD2DRD3DRD4SIGMAR1HTR1A

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