SCHEMBL6585101

SCHEMBL6585101

COC(C)Oc1cncc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.44
CHRNB4 P30926 7/20 0.44
CHRNA3 P32297 7/20 0.44
CHRNB1 P11230 6/20 0.44
CHRNB3 Q05901 6/20 0.44
JAK2 O60674 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALOX5AP P20292 3/20 0.42
FEN1 P39748 1/20 0.42
GPR119 Q8TDV5 2/20 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
SCHEMBL6582597 0.91 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6583899 0.81 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6582599 0.79 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL938055 0.77 ABHD6 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5AP
SCHEMBL27936838 0.77 ABHD6 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5AP
SCHEMBL938053 0.77 ABHD6 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5AP
SCHEMBL3357177 0.77 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL14941814 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1241247 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1241249 0.77 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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 disclosed