SCHEMBL8448797

SCHEMBL8448797

O[C@]1(c2ccc(Cl)cc2)CCCCCC1n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.42
SLC6A9 P48067 4/20 0.42
SLC6A5 Q9Y345 4/20 0.42
OPRL1 P41146 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC18A3 Q16572 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.37
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
HSD11B1 P28845 2/20 0.35
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL69255 1.00 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL82208 1.00 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL82209 1.00 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL31302597 1.00 OPRM1 (0.42) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL9733623 0.99 OPRM1 (0.43) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL9733626 0.99 OPRM1 (0.43) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL9733620 0.99 OPRM1 (0.43) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL17207460 0.95 OPRM1 (0.41) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL15824257 0.92 SLC6A9 (0.42) OPRM1SLC6A9SLC6A5OPRL1MEN1
SCHEMBL15833895 0.87 SLC6A9 (0.42) OPRM1SLC6A9SLC6A5OPRL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012125468-A2 ENHANCED SEED TREATMENTS USING OILS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-20 WO disclosed
EP-0906311-A1 N-SULFONYLIMIDAZOLES USED AS FUNGICIDES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997047620-A1 N-SULFONYLIMIDAZOLES USED AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-18 WO disclosed