SCHEMBL5083239

SCHEMBL5083239

CCC(CCN1CCC(c2ccccc2)CC1)COc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
OPRM1 P35372 1/20 0.52
HRH3 Q9Y5N1 2/20 0.47
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 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
SCHEMBL5076789 0.89 ADRA1D (0.50) DRD2HRH3SIGMAR1
SCHEMBL9655435 0.85 DRD2 (0.49) DRD2OPRM1HRH3
SCHEMBL9654170 0.77 DRD2 (0.50) DRD2HRH3
SCHEMBL9531948 0.75 HRH3 (0.59) HRH3
SCHEMBL9652034 0.75 DRD2 (0.47) DRD2HRH3
SCHEMBL9655196 0.74 HRH3 (0.44) HRH3SIGMAR1
Hydrochloric Acid SCHEMBL9530694 0.72 LTA4H (0.61) HRH3
SCHEMBL8104014 0.72 DRD2 (0.68) DRD2SLC18A3SIGMAR1CARM1PRMT6
Anisole SCHEMBL28123646 0.72 CA4 (0.47) DRD2
SCHEMBL8091036 0.71 SIGMAR1 (0.76) DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed