SCHEMBL11114296

SCHEMBL11114296

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 4/20 0.38
MAPK1 P28482 1/20 0.36
MCOLN2 Q8IZK6 1/20 0.36
MCOLN1 Q9GZU1 1/20 0.36
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
TAS1R2 Q8TE23 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKCH P24723 1/20 0.34
PRKCD Q05655 1/20 0.34
BTK Q06187 1/20 0.34
SCN4A P35499 1/20 0.34
CCR1 P32246 1/20 0.33
OPRM1 P35372 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11119011 0.86 SCN4A (0.36) MAPK1TAS1R3TAS1R1TAS1R2SCN4A
SCHEMBL11118999 0.86 SCN4A (0.37) TAS1R3TAS1R1TAS1R2SCN4AOPRM1
SCHEMBL11121131 0.82 IKZF2 (0.37) SCN4AOPRM1KDM4E
SCHEMBL11116061 0.82 SCN4A (0.40) SCN4AOPRM1
SCHEMBL10500113 0.81 SCN4A (0.39) SCN4AOPRM1
SCHEMBL11116317 0.81 SCN4A (0.39) SCN4AOPRM1
SCHEMBL11115485 0.80 SCN4A (0.34) SCN4AOPRM1
SCHEMBL11115188 0.80 SCN4A (0.39) SCN4AOPRM1NPSR1
SCHEMBL11115913 0.79 SLC18A3 (0.45) SCN4AOPRM1
SCHEMBL11117599 0.78 LMNA (0.43) SCN4AOPRM1NPC1

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