SCHEMBL9508199

SCHEMBL9508199

OCCC1(c2cccc(Cl)c2)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
SLC6A3 Q01959 8/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A2 P23975 6/20 0.34
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
ICMT O60725 2/20 0.32
CHRNA1 P02708 4/20 0.32
CHRNB1 P11230 4/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNG P07510 3/20 0.32
CHRND Q07001 3/20 0.32
DPP4 P27487 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL3953873 0.82 TSHR (0.33) OPRM1OPRL1
SCHEMBL28201252 0.77 SLC6A4 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL27330211 0.72 TSHR (0.37) OPRM1OPRL1
SCHEMBL27880024 0.71 CHRNA1 (0.33) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL6954693 0.71 CHRM1 (0.33)
SCHEMBL7117350 0.69 CHRM1 (0.31)
SCHEMBL21333901 0.69 HSD11B1 (0.39) HSD11B1SLC6A3SLC6A4SLC6A2CHRNA1
SCHEMBL7453568 0.68 GAA (0.34) HSD11B1OPRM1OPRL1
SCHEMBL28399986 0.68 SLC6A2 (0.33) SLC6A4SLC6A2
SCHEMBL29181879 0.68 SLC6A3 (0.35) HSD11B1SLC6A3SLC6A4SLC6A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553284-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
WO-1992006076-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-16 WO disclosed