SCHEMBL7315523

SCHEMBL7315523

CCCCN1CC[C@@H](c2ccccc2)[C@H](CN2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.61
DRD2 P14416 2/20 0.56
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
DRD5 P21918 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL7315514 1.00 CCR5 (0.61) CCR5DRD2HTR1ADRD1DRD4
SCHEMBL25946287 0.84 DRD2 (0.69) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10431424 0.83 HTR1A (0.52) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10431047 0.83 HTR1A (0.52) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10431422 0.83 HTR1A (0.52) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10431046 0.83 HTR1A (0.52) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL152587 0.82 DRD2 (0.81) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL24755587 0.80 DRD1 (0.70) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10441506 0.80 HTR1A (0.53) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL10441505 0.80 HTR1A (0.53) DRD2HTR1ADRD1DRD4DRD5

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-0639568-A1 Piperidine compounds, their preparation and use in the treatment of neurodegenerative disorders NOVO NORDISK A/S (DK) 1995-02-22 EP claimed
EP-0639568-A1 Piperidine compounds, their preparation and use in the treatment of neurodegenerative disorders NOVO NORDISK A/S (DK) 1995-02-22 EP disclosed