SCHEMBL8734717

SCHEMBL8734717

CCCC[Sn](CCCC)(CCCC)c1ccc(C(CO)N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
SLC18A3 Q16572 4/20 0.40
OPRM1 P35372 4/20 0.38
OPRL1 P41146 4/20 0.38
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PKM P14618 1/20 0.35
ESRRB O95718 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRG P62508 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
SCHEMBL8734715 0.80 SLC18A3 (0.62) DRD2SLC18A3
SCHEMBL9523607 0.76 OPRM1 (0.56) DRD2SLC18A3OPRM1OPRL1OPRD1
SCHEMBL9340787 0.74 SLC18A3 (0.40) DRD2SLC18A3OPRM1KCNH2HRH3
SCHEMBL8736833 0.74 SLC18A3 (0.64) DRD2SLC18A3ADRA1DADRA1AADRA1B
SCHEMBL9523741 0.73 OPRM1 (0.55) DRD2SLC18A3OPRM1OPRL1OPRD1
SCHEMBL9521516 0.72 SLC18A3 (0.54) DRD2SLC18A3OPRM1OPRL1OPRD1
SCHEMBL27452831 0.69 SLC18A3 (0.49) DRD2SLC18A3OPRM1KCNH2HRH3
SCHEMBL7402938 0.68 OPRM1 (0.52) DRD2OPRM1OPRL1OPRD1OPRK1
SCHEMBL8736265 0.68 SLC18A3 (0.55) DRD2SLC18A3KCNH2ADRA1DADRA1A
SCHEMBL19564583 0.67 DRD2 (0.53) DRD2SLC18A3OPRM1

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-5721243-A ANTICHOLINERGIC AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-02-24 US disclosed