SCHEMBL11117024

SCHEMBL11117024

CN(C)C1(C(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TACR1 P25103 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC8 Q9BY41 3/20 0.42
PDK1 Q15118 1/20 0.42
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL10500798 0.70 LMNA (0.60) DCUN1D1MEN1KMT2AALDH1A1
SCHEMBL1334800 0.70 HDAC1 (0.49) MEN1KMT2APTGDR2LTB4R2HDAC6
SCHEMBL11117279 0.69 OPRM1 (0.40) MEN1KMT2AOPRM1ALDH1A1
SCHEMBL7342383 0.69 HDAC1 (0.69) DCUN1D1MEN1KMT2APTGDR2KDM4E
SCHEMBL26090579 0.69 HDAC6 (0.51) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL11118511 0.69 MMP9 (0.41) MEN1KMT2AOPRM1
SCHEMBL2811090 0.69 OPRM1 (0.56) TACR1OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL19745672 0.69 MEN1 (0.51) MEN1KMT2APTGDR2LTB4R2HDAC6
SCHEMBL4437768 0.68 MEN1 (0.54) MEN1KMT2ALTB4R2HDAC6HDAC1
SCHEMBL16221530 0.67 HDAC6 (0.52) LTB4R2HDAC6HDAC1HDAC8HDAC5

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