SCHEMBL7549641

SCHEMBL7549641

CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)CC1.CC(C)(C)OC(=O)NC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
KMT2A Q03164 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 1/20 0.56
SIGMAR1 Q99720 6/20 0.56
DRD4 P21917 2/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
POLB P06746 2/20 0.53
MAOB P27338 1/20 0.53
DPP7 Q9UHL4 1/20 0.52
MCHR1 Q99705 1/20 0.52

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
SCHEMBL915402 0.93 KMT2A (0.65) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL555464 0.89 KMT2A (0.64) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL5789230 0.88 KMT2A (0.59) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL3892168 0.87 KMT2A (0.61) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL2241424 0.86 KMT2A (0.63) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL178929 0.86 KMT2A (0.63) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL2241423 0.86 KMT2A (0.63) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL1412221 0.84 KMT2A (0.58) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL1412219 0.84 KMT2A (0.58) KCNA3KMT2AL3MBTL1MEN1SIGMAR1
SCHEMBL18845342 0.83 SIGMAR1 (0.57) KCNA3KMT2AL3MBTL1MEN1SIGMAR1

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
EP-1214287-A1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017942-A1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE ASTRAZENECA AB (SE) 2001-03-15 WO disclosed