SCHEMBL6830441

SCHEMBL6830441

CCCCN(C=O)C(=O)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSK P43235 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDF Q9HBH1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8614630 0.78 PLA2G2A (0.38) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL24942562 0.77 MEN1 (0.47) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL11934364 0.76 MEN1 (0.46) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL14508779 0.75 CA12 (0.39) EPHX1CA12CA1CA9ALDH1A1
SCHEMBL3983529 0.74 MEN1 (0.44) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL11688621 0.74 NPSR1 (0.42) MEN1MAPK1KMT2AHDAC6ALDH1A1
SCHEMBL16068293 0.72 CA12 (0.40) EPHX1CA12CA1CA9ALDH1A1
SCHEMBL14242749 0.72 ZDHHC20 (0.44) MEN1FAAHKMT2ACA12CA1
SCHEMBL6830439 0.71 MEN1 (0.42) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL7684384 0.71 EPHX1 (0.52) EPHX1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809108-B1 SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed