SCHEMBL11113548

SCHEMBL11113548

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.39
OPRM1 P35372 11/20 0.35
LMNA P02545 1/20 0.34
HTR2C P28335 4/20 0.32
HSD11B1 P28845 1/20 0.31
REN P00797 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNH2 Q12809 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
SCHEMBL11117599 0.91 LMNA (0.43) SCN4AOPRM1LMNAHTR2C
SCHEMBL11111207 0.89 SCN4A (0.39) SCN4AOPRM1LMNAHTR2C
SCHEMBL11116215 0.89 SCN4A (0.39) SCN4AOPRM1LMNAHTR2C
SCHEMBL10500113 0.82 SCN4A (0.39) SCN4AOPRM1LMNA
SCHEMBL11116317 0.82 SCN4A (0.39) SCN4AOPRM1LMNA
SCHEMBL11116061 0.81 SCN4A (0.40) SCN4AOPRM1LMNAHTR2CHSD11B1
SCHEMBL11115188 0.79 SCN4A (0.39) SCN4AOPRM1LMNA
SCHEMBL11117393 0.79 SCN4A (0.39) SCN4AOPRM1LMNA
SCHEMBL11118999 0.78 SCN4A (0.37) SCN4AOPRM1LMNA
SCHEMBL11113500 0.77 LMNA (0.43) SCN4AOPRM1LMNAHTR2C

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