SCHEMBL5083190

SCHEMBL5083190

CCCCCN1CCC(c2ccc(F)cc2)C(COc2ccc(OC)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
DRD2 P14416 2/20 0.44
HTR1A P08908 3/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DRD4 P21917 1/20 0.42
CCR2 P41597 2/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5083179 1.00 HTT (0.44) HTTDRD2HTR1ADRD1DRD5
SCHEMBL5083196 1.00 HTT (0.44) HTTDRD2HTR1ADRD1DRD5
Hydrochloric Acid SCHEMBL1152993 0.99 HTT (0.43) HTTDRD2HTR1ADRD1DRD5
SCHEMBL5141567 0.99 HTR1A (0.44) HTTDRD2HTR1ADRD1DRD5
Hydrochloric Acid SCHEMBL1152990 0.99 HTT (0.43) HTTDRD2HTR1ADRD1DRD5
Hydrochloric Acid SCHEMBL1152994 0.99 HTT (0.43) HTTDRD2HTR1ADRD1DRD5
Hydrochloric Acid SCHEMBL9397536 0.98 HTR1A (0.44) HTTDRD2HTR1ADRD1DRD5
Hydrochloric Acid SCHEMBL9397520 0.98 HTR1A (0.44) HTTDRD2HTR1ADRD1DRD5
Hydrochloric Acid SCHEMBL9397529 0.98 HTR1A (0.44) HTTDRD2HTR1ADRD1DRD5
SCHEMBL5080359 0.97 DRD2 (0.44) HTTDRD2HTR1ADRD1DRD5

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
EP-0266574-B1 Piperidine compounds and their preparation and use NOVO NORDISK AS (DK) 1994-01-05 EP claimed
EP-0266574-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-05-11 EP claimed
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed