SCHEMBL7940536

SCHEMBL7940536

CN1C2CCC1CC(Sc1ccc(Cl)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
CHRM1 P11229 2/20 0.50
DRD3 P35462 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5636304 0.83 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL5636307 0.83 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL7940689 0.83 CHRM1 (0.50) SLC6A3SLC6A2SLC6A4CHRM1DRD3
SCHEMBL5634904 0.82 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4CHRM1DRD3
SCHEMBL5634899 0.82 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4CHRM1DRD3
SCHEMBL1177474 0.82 SLC6A4 (0.50) SLC6A3SLC6A2SLC6A4CHRM1DRD3
SCHEMBL1177473 0.82 SLC6A4 (0.50) SLC6A3SLC6A2SLC6A4CHRM1DRD3
SCHEMBL5634867 0.81 OPRM1 (0.43) SLC6A3SLC6A2SLC6A4CHRM1DRD3
SCHEMBL4475967 0.80 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4CHRM1
SCHEMBL5636868 0.80 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4CHRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258827-B1 HYDROXYAROMATIC HETEROCYCLIC ALKANOLS AND LEVODOPA PFIZER INC. 2001-07-10 US disclosed
US-6046213-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives PFIZER INC. (US) 2000-04-04 US disclosed
EP-0828513-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
EP-0777652-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed
US-5498610-A Neuroprotective indolone and related derivatives PFIZER INC. (US) 1996-03-12 US disclosed
WO-1996006081-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1996-02-29 WO disclosed
US-5306723-A Neuroprotective indolone and related derivatives PFIZER INC. (US) 1994-04-26 US disclosed
EP-0554247-A1 NEUROPROTECTIVE INDOLONE AND RELATED DERIVATIVES PFIZER INC. (US) 1993-08-11 EP disclosed
WO-1991017156-A1 NEUROPROTECTIVE INDOLONE AND RELATED DERIVATIVES PFIZER INC (US) 1991-11-14 WO disclosed