SCHEMBL11111207

SCHEMBL11111207

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.39
LMNA P02545 1/20 0.36
OPRM1 P35372 7/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
NPC1 O15118 1/20 0.32
HTR2C P28335 2/20 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
SCHEMBL11116215 1.00 SCN4A (0.39) SCN4ALMNAOPRM1SLC6A2SLC6A4
SCHEMBL11117599 0.92 LMNA (0.43) SCN4ALMNAOPRM1SLC6A2SLC6A4
SCHEMBL11113548 0.89 SCN4A (0.39) SCN4ALMNAOPRM1HTR2C
SCHEMBL10500113 0.81 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11116317 0.81 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11117393 0.80 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11116061 0.80 SCN4A (0.40) SCN4ALMNAOPRM1HTR2C
SCHEMBL11113500 0.78 LMNA (0.43) SCN4ALMNAOPRM1SLC6A2SLC6A4
SCHEMBL11115188 0.78 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11119011 0.77 SCN4A (0.36) SCN4ALMNAOPRM1

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