SCHEMBL11115855

SCHEMBL11115855

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)C(C)C(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
AOC3 Q16853 1/20 0.39
SLC6A9 P48067 3/20 0.36
OPRM1 P35372 2/20 0.36
NPY5R Q15761 9/20 0.36
NPY2R P49146 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
SCHEMBL11111810 0.74 SCN4A (0.34) OPRM1
SCHEMBL11115924 0.72 OPRM1 (0.33) OPRM1
SCHEMBL11114555 0.70 OPRM1 (0.40) ALDH1A1OPRM1
SCHEMBL11114801 0.70 SCN4A (0.35) ALDH1A1OPRM1
SCHEMBL11117599 0.69 LMNA (0.43) OPRM1
SCHEMBL11118656 0.69 OPRM1 (0.37) OPRM1
SCHEMBL11114003 0.69 OPRM1 (0.37) KDM4EALDH1A1OPRM1
SCHEMBL11119013 0.68 MEN1 (0.38) ALDH1A1OPRM1
SCHEMBL11113548 0.68 SCN4A (0.39) OPRM1
SCHEMBL11118690 0.68 DPP9 (0.40) OPRM1

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-0121972-A2 N-aryl-alpha-amino-carboxamides JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-17 EP disclosed