SCHEMBL6822396

SCHEMBL6822396

C[C@@H](O)c1nccc(N2CCN(c3nccc(-n4cncn4)n3)CC2(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SORD Q00796 19/20 0.49

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
SCHEMBL6293099 1.00 SORD (0.49) SORD
SCHEMBL6822500 0.92 SORD (0.52) SORD
SCHEMBL6293234 0.92 SORD (0.52) SORD
SCHEMBL7492661 0.84 SORD (0.34) SORD
SCHEMBL6822451 0.81 SORD (0.64) SORD
SCHEMBL6335275 0.81 SORD (0.61) SORD
SCHEMBL6293136 0.81 SORD (0.64) SORD
SCHEMBL6822488 0.80 SORD (0.61) SORD
SCHEMBL6294659 0.80 SORD (0.61) SORD
SCHEMBL6294587 0.79 SORD (0.52) SORD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002098429-A1 ETHANOLAMINE, DIETHANOLAMINE OR TRIETHANOLAMINE SALT OF ZOPOLRESTAT PFIZER PRODUCTS INC. (US) 2002-12-12 WO claimed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP claimed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO claimed
EP-1337271-B1 COMBINATION OF GABA AGONISTS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PROD INC (US) 2004-11-03 EP disclosed
WO-2002098429-A1 ETHANOLAMINE, DIETHANOLAMINE OR TRIETHANOLAMINE SALT OF ZOPOLRESTAT PFIZER PRODUCTS INC. (US) 2002-12-12 WO disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 WO disclosed