SCHEMBL6589690

SCHEMBL6589690

C[C@H](CN1CCCC1)Oc1cnc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ATM Q13315 1/20 0.38
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL6590000 1.00 LTA4H (0.44) LTA4HPOLBKMT2AL3MBTL1KDM4E
SCHEMBL6589684 1.00 LTA4H (0.44) LTA4HPOLBKMT2AL3MBTL1KDM4E
SCHEMBL6591854 0.85 LTA4H (0.45) LTA4HPOLBKMT2AL3MBTL1KDM4E
SCHEMBL6588677 0.85 LTA4H (0.45) LTA4HPOLBKMT2AL3MBTL1KDM4E
SCHEMBL6588681 0.85 LTA4H (0.45) LTA4HPOLBKMT2AL3MBTL1KDM4E
SCHEMBL6588673 0.84 LTA4H (0.44) LTA4HPOLBKMT2ASIGMAR1
SCHEMBL6588665 0.84 LTA4H (0.44) LTA4HPOLBKMT2ASIGMAR1
SCHEMBL6590734 0.84 LTA4H (0.44) LTA4HPOLBKMT2ASIGMAR1
SCHEMBL6588441 0.80 OPRK1 (0.36) POLBKMT2AL3MBTL1KDM4ENPSR1
SCHEMBL6588438 0.80 OPRK1 (0.36) POLBKMT2AL3MBTL1KDM4ENPSR1

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