SCHEMBL6590734

SCHEMBL6590734

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.40

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
SCHEMBL6588673 1.00 LTA4H (0.44) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6588665 1.00 LTA4H (0.44) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6588681 0.85 LTA4H (0.45) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6588677 0.85 LTA4H (0.45) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6591854 0.85 LTA4H (0.45) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6590000 0.84 LTA4H (0.44) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6589684 0.84 LTA4H (0.44) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6589690 0.84 LTA4H (0.44) LTA4HSIGMAR1POLBKMT2A
SCHEMBL6588191 0.80 KMT2A (0.36) POLBKMT2A
SCHEMBL6593192 0.80 KMT2A (0.36) POLBKMT2A

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