SCHEMBL11118511

SCHEMBL11118511

CCCCOc1cc(C)c(N(Cc2ccccc2)C(=O)C2(N(C)C)CCNCC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
OPRM1 P35372 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL11115639 0.82 OPRM1 (0.41) OPRM1MEN1KMT2ANPC1RAB9A
SCHEMBL11117279 0.76 OPRM1 (0.40) OPRM1MEN1KMT2ANPC1RAB9A
SCHEMBL10500141 0.74 THRB (0.40) MEN1KMT2A
SCHEMBL11117024 0.69 DCUN1D1 (0.46) OPRM1MEN1KMT2A
SCHEMBL10501298 0.67 MMP1 (0.53) MMP9MMP13ADAM17MEN1KMT2A
SCHEMBL29362310 0.67 BCHE (0.55) BCHEACHE
SCHEMBL11115913 0.67 SLC18A3 (0.45) OPRM1
SCHEMBL11114003 0.66 OPRM1 (0.37) MMP9OPRM1MEN1KMT2ANPC1
SCHEMBL11119013 0.66 MEN1 (0.38) OPRM1MEN1KMT2A
SCHEMBL10499345 0.64 HTR3E (0.40) OPRM1MEN1KMT2A

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