SCHEMBL9761718

SCHEMBL9761718

CCOCCn1c(NCCN2CCCC2)nc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
TRPC5 Q9UL62 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
HRH1 P35367 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9760898 0.83 SLC6A9 (0.42) SLC6A9
SCHEMBL10382570 0.83 SLC6A9 (0.44) SLC6A9OPRM1OPRD1OPRK1HRH3
SCHEMBL9760636 0.81 RAD52 (0.43) SLC6A9
SCHEMBL10444904 0.80 SLC6A9 (0.67) SLC6A9NPSR1
SCHEMBL9762111 0.80 SLC6A9 (0.46) SLC6A9OPRM1OPRD1OPRK1NPSR1
SCHEMBL9536097 0.77 SLC6A9 (0.45) SLC6A9OPRM1OPRD1OPRK1HRH3
SCHEMBL9535360 0.77 HRH1 (0.54) SLC6A9OPRM1OPRD1OPRK1HRH3
SCHEMBL9535868 0.77 SLC6A9 (0.44) SLC6A9HRH1
SCHEMBL9536586 0.76 SLC6A9 (0.41) SLC6A9OPRM1OPRD1OPRK1HRH1
Hydrochloric Acid SCHEMBL10384124 0.76 SLC6A9 (0.44) SLC6A9HRH1

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-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed