SCHEMBL6593192

SCHEMBL6593192

CC(C)(C)OC(=O)[C@H](CN1CCCC1)Oc1cnc(Cl)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6588202 1.00 KMT2A (0.36) KMT2APOLBALDH1A1HTTGAA
SCHEMBL6588191 1.00 KMT2A (0.36) KMT2APOLBALDH1A1HTTGAA
SCHEMBL6590425 0.88 POLB (0.34) KMT2APOLB
SCHEMBL6586080 0.88 POLB (0.34) KMT2APOLB
SCHEMBL6586075 0.88 POLB (0.34) KMT2APOLB
SCHEMBL6590131 0.88 OPRK1 (0.36) KMT2APOLB
SCHEMBL6588438 0.88 OPRK1 (0.36) KMT2APOLB
SCHEMBL6588441 0.88 OPRK1 (0.36) KMT2APOLB
SCHEMBL8506871 0.82 ALDH1A1 (0.37) KMT2AALDH1A1HTTGAAMAPT
SCHEMBL8506868 0.82 ALDH1A1 (0.37) KMT2AALDH1A1HTTGAAMAPT

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