SCHEMBL8900426

SCHEMBL8900426

COCCCc1cccc2c1C[C@@H]1CCN[C@@H]1C2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.60
DRD2 P14416 4/20 0.34
DRD3 P35462 2/20 0.34
ADRA1A P35348 1/20 0.33
DRD4 P21917 1/20 0.30

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
SCHEMBL7935279 0.76 DRD2 (0.50) DRD2DRD3ADRA1A
SCHEMBL8169648 0.75 HTR1A (1.00) HTR1ADRD2DRD3DRD4
SCHEMBL8169645 0.75 HTR1A (1.00) HTR1ADRD2DRD3DRD4
SCHEMBL5167242 0.70 HTR1A (0.89) HTR1ADRD2DRD3DRD4
SCHEMBL5171727 0.70 HTR1A (0.89) HTR1ADRD2DRD3DRD4
SCHEMBL5167251 0.70 HTR1A (0.89) HTR1ADRD2DRD3DRD4
SCHEMBL5171731 0.70 HTR1A (0.89) HTR1ADRD2DRD3DRD4
SCHEMBL10760426 0.68 HTR1A (0.84) HTR1ADRD2DRD3DRD4
SCHEMBL10760431 0.68 HTR1A (0.84) HTR1ADRD2DRD3DRD4
SCHEMBL10760422 0.68 HTR1A (0.84) HTR1ADRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 EP claimed