SCHEMBL6811997

SCHEMBL6811997

CC(Cl)C(=O)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.54
SRD5A1 P18405 3/20 0.43
SRD5A2 P31213 3/20 0.43
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5595558 0.86 CNR1 (0.54) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL8728849 0.81 CNR1 (0.60) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL30257325 0.81 CNR1 (0.63) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL8728950 0.81 CNR1 (0.63) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL9040996 0.79 CNR1 (0.62) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL9144238 0.78 CNR1 (0.60) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL4694766 0.77 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL6812882 0.77 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL12450809 0.77 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A
Lithium Ion SCHEMBL9040989 0.77 CNR1 (0.59) CNR1SRD5A1SRD5A2CTNNB1WNT3A

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
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
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed