SCHEMBL18845342

SCHEMBL18845342

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
DRD2 P14416 1/20 0.57
KCNA3 P22001 1/20 0.55
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
AKT1 P31749 1/20 0.50
CCR3 P51677 1/20 0.50

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 0.90 KMT2A (0.65) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL29608184 0.88 KMT2A (0.52) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL555464 0.85 KMT2A (0.64) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL5789230 0.84 KMT2A (0.59) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL12011087 0.84 KMT2A (0.57) SIGMAR1KCNA3KMT2AL3MBTL1MEN1
SCHEMBL27226915 0.84 SIGMAR1 (0.59) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL15021069 0.84 SIGMAR1 (0.59) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL29260128 0.84 KCNA3 (0.53) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL7549641 0.83 KCNA3 (0.59) SIGMAR1DRD2KCNA3KMT2AL3MBTL1
SCHEMBL3892168 0.83 KMT2A (0.61) SIGMAR1DRD2KCNA3KMT2AL3MBTL1

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
WO-2017079476-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-05-11 WO disclosed