SCHEMBL6586080

SCHEMBL6586080

Cc1ncc(O[C@@H](CN2CCCC2)C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB1 P08183 6/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6586075 1.00 POLB (0.34) POLBKMT2AL3MBTL1ABCB1NPSR1
SCHEMBL6590425 1.00 POLB (0.34) POLBKMT2AL3MBTL1ABCB1NPSR1
SCHEMBL6590131 0.88 OPRK1 (0.36) POLBKMT2AL3MBTL1ABCB1NPSR1
SCHEMBL6588438 0.88 OPRK1 (0.36) POLBKMT2AL3MBTL1ABCB1NPSR1
SCHEMBL6588202 0.88 KMT2A (0.36) POLBKMT2A
SCHEMBL6588191 0.88 KMT2A (0.36) POLBKMT2A
SCHEMBL6588441 0.88 OPRK1 (0.36) POLBKMT2AL3MBTL1ABCB1NPSR1
SCHEMBL6593192 0.88 KMT2A (0.36) POLBKMT2A
SCHEMBL7478112 0.79
SCHEMBL6588681 0.79 LTA4H (0.45) POLBKMT2AL3MBTL1NPSR1KDM4E

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-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP claimed