SCHEMBL11115924

SCHEMBL11115924

Cc1cccc(C)c1N(CC(O)CCO)C(=O)C1(N(C)C)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
SCN4A P35499 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HTR2C P28335 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
SCHEMBL11119013 0.77 MEN1 (0.38) OPRM1SCN4ASLC6A2SLC6A4SLC6A3
SCHEMBL11114003 0.72 OPRM1 (0.37) OPRM1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL11115855 0.72 KDM4E (0.40) OPRM1
SCHEMBL11114801 0.69 SCN4A (0.35) OPRM1SCN4AHTR2C
SCHEMBL11117393 0.69 SCN4A (0.39) OPRM1SCN4A
SCHEMBL11115188 0.69 SCN4A (0.39) OPRM1SCN4A
SCHEMBL11117599 0.68 LMNA (0.43) OPRM1SCN4ASLC6A2SLC6A4SLC6A3
SCHEMBL11113533 0.68 HTR1A (0.35) OPRM1SCN4A
SCHEMBL11115485 0.68 SCN4A (0.34) OPRM1SCN4A
SCHEMBL11116061 0.68 SCN4A (0.40) OPRM1SCN4AHTR2C

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