SCHEMBL18725307

SCHEMBL18725307

CC(C)(C)C1CN(c2cccc(O)c2)CCN1C(=O)O.CCCCC1(c2ccccc2O)CNCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.34
DRD2 P14416 2/20 0.32
OPRM1 P35372 5/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
GRM2 Q14416 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
NR1H2 P55055 5/20 0.31
NR1H3 Q13133 4/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL18725308 0.88 NR1H2 (0.34) HTR7DRD2OPRM1OPRD1OPRK1
SCHEMBL2226221 0.80 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL2224887 0.76 NR1H2 (0.45) HTR7DRD2OPRM1NR1H2NR1H3
SCHEMBL29252729 0.67 AGTR2 (0.48) DRD2NR1H2NR1H3DRD3
SCHEMBL11963285 0.66 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL2333783 0.65 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL674603 0.64 ALOX5 (0.46) NR1H2NR1H3
SCHEMBL673259 0.64 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL2452095 0.63 SIGMAR1 (0.33) OPRM1OPRK1SIGMAR1
SCHEMBL18725929 0.62 PRKDC (0.40) NR1H2NR1H3

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
EP-2544535-B1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIV (US) 2017-04-19 EP claimed