SCHEMBL6743192

SCHEMBL6743192

CN1CCC(O)(c2ccccc2C(S)c2cccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
TSHR P16473 1/20 0.37
HSD11B1 P28845 2/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SOS1 Q07889 1/20 0.36
CBX7 O95931 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
PKLR P30613 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL7256371 0.82 SLC6A3 (0.47) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL6742634 0.80 SLC6A4 (0.51) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL6743664 0.78 TSHR (0.35) TSHRSLC6A2SLC6A4SLC6A3CBX7
Formic Acid SCHEMBL4911299 0.74 KDM4E (0.33) OPRM1OPRD1OPRK1TSHRHSD11B1
SCHEMBL11856554 0.71 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL7816341 0.70 OPRD1 (0.46) OPRM1OPRD1OPRK1SLC6A4
SCHEMBL4824477 0.70 OPRL1 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL11859729 0.68 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL17888234 0.68 OPRM1 (0.62) OPRM1OPRD1OPRK1OPRL1MAPK1
SCHEMBL11830646 0.67 OPRL1 (0.62) OPRM1OPRD1OPRK1OPRL1

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-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed