SCHEMBL11113533

SCHEMBL11113533

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.35
SCN4A P35499 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MBTPS1 Q14703 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL10500113 0.77 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11116317 0.77 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11115485 0.77 SCN4A (0.34) SCN4ALMNAOPRM1
SCHEMBL11118999 0.75 SCN4A (0.37) SCN4ALMNAOPRM1
SCHEMBL11117599 0.72 LMNA (0.43) SCN4ALMNAOPRM1
SCHEMBL11115188 0.72 SCN4A (0.39) SCN4AMEN1LMNAMAPTHTT
SCHEMBL11116061 0.72 SCN4A (0.40) SCN4ALMNAOPRM1
SCHEMBL11121131 0.72 IKZF2 (0.37) SCN4AOPRM1
SCHEMBL11119013 0.71 MEN1 (0.38) SCN4AMEN1KMT2AOPRM1
SCHEMBL11119011 0.71 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