SCHEMBL11116317

SCHEMBL11116317

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)C1CCCCC1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.39
SLC18A3 Q16572 4/20 0.34
LMNA P02545 1/20 0.32
OPRM1 P35372 2/20 0.32
SIGMAR1 Q99720 1/20 0.31

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 1.00 SCN4A (0.39) SCN4ASLC18A3LMNAOPRM1SIGMAR1
SCHEMBL11116061 0.90 SCN4A (0.40) SCN4ALMNAOPRM1SIGMAR1
SCHEMBL11115188 0.88 SCN4A (0.39) SCN4ALMNAOPRM1SIGMAR1
SCHEMBL11117599 0.86 LMNA (0.43) SCN4ALMNAOPRM1
SCHEMBL11118999 0.86 SCN4A (0.37) SCN4ALMNAOPRM1
SCHEMBL11117393 0.85 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11113548 0.82 SCN4A (0.39) SCN4ALMNAOPRM1
SCHEMBL11118552 0.82 SCN4A (0.35) SCN4AOPRM1
SCHEMBL11115913 0.82 SLC18A3 (0.45) SCN4ASLC18A3OPRM1
SCHEMBL11119011 0.82 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