SCHEMBL9018959

SCHEMBL9018959

CCCN(Cc1ccccc1)C1Cc2ccc(CC(C)(C)C(N)=O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.49
DRD2 P14416 7/20 0.49
DRD4 P21917 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 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
SCHEMBL30192267 0.87 DRD3 (0.51) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL7451185 0.81 DRD3 (0.55) DRD3DRD2DRD4HTR1DHTR1B
Cyclopropane Carboxylic Acid SCHEMBL19989732 0.81 DRD3 (0.48) DRD3DRD2DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL7448937 0.80 DRD3 (0.54) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8691516 0.79 DRD3 (0.46) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL30705735 0.79 DRD3 (0.46) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL8688537 0.77 DRD3 (0.50) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL30705737 0.76 DRD3 (0.50) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL9018943 0.76 DRD3 (0.50) DRD3DRD2DRD4HTR1DHTR1B
SCHEMBL9752126 0.75 DRD3 (0.61) DRD3DRD2DRD4HTR1DHTR1B

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-0712387-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-05-22 EP disclosed
WO-1995004713-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS THE UPJOHN COMPANY (US) 1995-02-16 WO disclosed