SCHEMBL9340787

SCHEMBL9340787

CCCC[Sn](CCCC)(CCCC)c1cccc(C(C(C)O)N2CCC(c3ccccc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
DRD2 P14416 3/20 0.38
OPRM1 P35372 4/20 0.38
CCR5 P51681 1/20 0.37
PRCP P42785 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ESRRG P62508 2/20 0.35
ESRRB O95718 1/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL8736265 0.75 SLC18A3 (0.55) SLC18A3DRD2KCNH2
SCHEMBL8734717 0.74 DRD2 (0.41) SLC18A3DRD2OPRM1KCNH2HRH3
SCHEMBL8734715 0.72 SLC18A3 (0.62) SLC18A3DRD2
SCHEMBL8736833 0.69 SLC18A3 (0.64) SLC18A3DRD2
Hydrochloric Acid SCHEMBL4692281 0.68 KCNH2 (0.45) SLC18A3DRD2OPRM1CCR5PRCP
SCHEMBL9523607 0.68 OPRM1 (0.56) SLC18A3DRD2OPRM1CCR5HRH3
SCHEMBL2661616 0.66 KCNH2 (0.56) SLC18A3DRD2OPRM1CCR5KCNH2
SCHEMBL7669605 0.65 DRD3 (0.36) DRD2KCNH2HRH3HTR1ADRD1
SCHEMBL7060188 0.65 SLC18A3 (0.50) SLC18A3DRD2CCR5KCNH2HRH3
SCHEMBL9523741 0.65 OPRM1 (0.55) SLC18A3DRD2OPRM1CCR5PRCP

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
US-5358712-A For binding to receptors when monitoring for cholinergic innervation in living brains, detection of Alzheimer*s disease REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-10-25 US disclosed