SCHEMBL6664428

SCHEMBL6664428

COc1ccccc1NC(=O)OCC1CCN(C(=O)OC2CCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.51
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL6668837 0.95 CHRM3 (0.49) CHRM3KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL6663459 0.86 CHRM3 (0.58) CHRM3KMT2AL3MBTL1
SCHEMBL6669041 0.84 ALDH1A1 (0.48) CHRM3KMT2AL3MBTL1ALDH1A1
SCHEMBL6664439 0.83 CHRM3 (0.56) CHRM3KMT2AL3MBTL1PKMMAPK1
SCHEMBL6664925 0.82 KMT2A (0.56) CHRM3KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL6666229 0.82 L3MBTL1 (0.51) CHRM3KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL6664448 0.82 TDP1 (0.53) CHRM3KMT2AL3MBTL1ALDH1A1PKM
SCHEMBL6679940 0.80 TDP1 (0.60) KMT2AL3MBTL1ALDH1A1PKMMAPK1
SCHEMBL17205165 0.80 TGFBR1 (0.57) CHRM3KMT2AL3MBTL1PKM
SCHEMBL6666206 0.80 CHRM3 (0.53) CHRM3KMT2AL3MBTL1

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-2004014425-A1 ACTIVATORS OF SMALL CONDUCTANCE CALCIUM ACTIVATED POTASSIUM CHANNELS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2004-02-19 WO disclosed