SCHEMBL6811754

SCHEMBL6811754

CC(C(=O)c1ccc(O)cc1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
SLC6A2 P23975 8/20 0.59
SLC6A3 Q01959 8/20 0.59
CHRNB4 P30926 6/20 0.59
CHRNA3 P32297 6/20 0.59
CHRNB2 P17787 5/20 0.59
CHRNA4 P43681 5/20 0.59
CHRNA1 P02708 4/20 0.59
CHRNG P07510 4/20 0.59
CHRNB1 P11230 4/20 0.59
CHRND Q07001 4/20 0.59
SLC6A4 P31645 2/20 0.57
MAOB P27338 1/20 0.53
GRIN2B Q13224 8/20 0.49
CHRM2 P08172 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD3 P35462 1/20 0.45
SIGMAR1 Q99720 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
SCHEMBL7946750 0.98 SLC6A3 (0.60) ALDH1A1KDM4EGAASLC6A2SLC6A3
SCHEMBL9360364 0.85 SLC6A3 (0.60) ALDH1A1KDM4EGAASLC6A2SLC6A3
SCHEMBL5953978 0.85 SLC6A2 (0.68) ALDH1A1KDM4EGAASLC6A2SLC6A3
SCHEMBL9796926 0.85 SLC6A3 (0.60) ALDH1A1KDM4EGAASLC6A2SLC6A3
SCHEMBL1072701 0.84 SLC6A2 (0.69) ALDH1A1KDM4EGAASLC6A2SLC6A3
SCHEMBL17644179 0.84 SLC6A3 (0.65) ALDH1A1KDM4EGAASLC6A2SLC6A3
SCHEMBL895863 0.84 SLC6A3 (0.65) ALDH1A1KDM4EGAASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL9797234 0.83 SLC6A3 (0.58) ALDH1A1KDM4EGAASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL9796810 0.83 SLC6A3 (0.58) ALDH1A1KDM4EGAASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL10728832 0.83 SLC6A2 (0.68) ALDH1A1KDM4EGAASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828513-B1 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER (US) 2004-01-21 EP disclosed
US-6258827-B1 HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA PFIZER INC. 2001-07-10 US disclosed
EP-0828513-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
CN-1159325-A Co-therapy for Parkinson's syndrome PFIZER (US) 1997-09-17 CN disclosed
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed