SCHEMBL6818935

SCHEMBL6818935

C[C@@H]1CN(c2ccnc(CCO)n2)C[C@H](C)N1C(=O)Oc1cncc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 5/20 0.47
▸ EIF2AK4 Q9P2K8 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34

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
SCHEMBL7178987 0.86 SORD (0.49) SORDEIF2AK4KMT2AJAK2JAK1
SCHEMBL7567364 0.83 SORD (0.50) SORDEIF2AK4MAPTKMT2AJAK2
SCHEMBL6294596 0.83 SORD (0.53) SORD
SCHEMBL7184150 0.77 SORD (0.60) SORDEIF2AK4
SCHEMBL7571577 0.77 SORD (0.49) SORD
SCHEMBL7572046 0.73 KMT2A (0.39) SORDMAPTKMT2AJAK2JAK1
SCHEMBL7177543 0.72 SORD (0.80) SORD
SCHEMBL7179704 0.72 SORD (0.80) SORD
SCHEMBL7190501 0.71 SORD (0.47) SORDEIF2AK4JAK2JAK1TYK2
SCHEMBL7185492 0.68 SORD (0.78) 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 9 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-1337271-B1 COMBINATION OF GABA AGONISTS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PROD INC (US) 2004-11-03 — — EP disclosed
EP-1337271-A2 COMBINATION OF GABA AGONISTS AND SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2003-08-27 — — EP disclosed
EP-1326591-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2003-07-16 — — EP disclosed
WO-2002098429-A1 ETHANOLAMINE, DIETHANOLAMINE OR TRIETHANOLAMINE SALT OF ZOPOLRESTAT PFIZER PRODUCTS INC. (US) 2002-12-12 — — WO disclosed
WO-2002043762-A2 COMBINATION OF GABA AGONISTS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 — — WO disclosed
WO-2002032411-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-04-25 — — 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
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