SCHEMBL11115913

SCHEMBL11115913

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)[C@@H]1CCCC[C@H]1N(C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.45
OPRM1 P35372 7/20 0.36
CCR5 P51681 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SCN4A P35499 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KCNH2 Q12809 1/20 0.35
EBP Q15125 1/20 0.34
IKZF2 Q9UKS7 1/20 0.34

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
SCHEMBL11116061 0.85 SCN4A (0.40) OPRM1SCN4A
SCHEMBL10500113 0.82 SCN4A (0.39) SLC18A3OPRM1SCN4A
SCHEMBL11116317 0.82 SCN4A (0.39) SLC18A3OPRM1SCN4A
SCHEMBL11121131 0.82 IKZF2 (0.37) OPRM1SCN4AEBPIKZF2
SCHEMBL11115188 0.81 SCN4A (0.39) OPRM1SCN4A
SCHEMBL11117599 0.80 LMNA (0.43) OPRM1SCN4A
SCHEMBL11118999 0.80 SCN4A (0.37) OPRM1SCN4AIKZF2
SCHEMBL11117393 0.79 SCN4A (0.39) OPRM1SCN4A
SCHEMBL11114296 0.79 SSTR3 (0.38) OPRM1SCN4A
SCHEMBL11118552 0.78 SCN4A (0.35) OPRM1SCN4A

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