SCHEMBL11115639

SCHEMBL11115639

Cc1cc(N(C)C)cc(C)c1N(Cc1ccccc1)C(=O)C1(N(C)C)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
TSPO P30536 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CYP2D6 P10635 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL11118511 0.82 MMP9 (0.41) OPRM1KMT2AMEN1NPC1RAB9A
SCHEMBL11117279 0.81 OPRM1 (0.40) OPRM1TSPOKMT2AMEN1TRPM8
SCHEMBL11117024 0.76 DCUN1D1 (0.46) OPRM1KMT2AMEN1PDK1ALDH1A1
SCHEMBL11119013 0.73 MEN1 (0.38) OPRM1KMT2AMEN1ALDH1A1OPRD1
SCHEMBL11115913 0.72 SLC18A3 (0.45) OPRM1L3MBTL1KCNH2
SCHEMBL11114003 0.71 OPRM1 (0.37) OPRM1KMT2AMEN1L3MBTL1NPC1
SCHEMBL11115641 0.69 OPRM1 (0.37) OPRM1L3MBTL1ALDH1A1OPRD1
SCHEMBL3563825 0.68 OPRM1 (0.57) OPRM1KMT2AMEN1NPC1RAB9A
SCHEMBL16149920 0.68 RAB9A (0.40) TSPOKMT2AMEN1PDK1PDK2
SCHEMBL11115924 0.67 OPRM1 (0.33) OPRM1

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