SCHEMBL7186896

SCHEMBL7186896

C[C@@H]1CN(C(=O)c2cc3c(Cl)nccc3o2)C[C@H](C)N1c1ccnc(CCO)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 13/20 0.46
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7191979 0.86 SORD (0.46) SORDRAB9ANPC1
SCHEMBL6782757 0.85 SORD (0.45) SORDRAB9ANPC1
SCHEMBL7182215 0.85 SORD (0.47) SORDRAB9ANPC1PDK1PDK2
SCHEMBL6294660 0.83 SORD (0.53) SORD
SCHEMBL6294568 0.73 HSD11B1 (0.35) SORDRAB9ANPC1
SCHEMBL7177543 0.71 SORD (0.80) SORD
SCHEMBL7179704 0.71 SORD (0.80) SORD
SCHEMBL7190501 0.70 SORD (0.47) SORDRAB9A
SCHEMBL6294531 0.70 SORD (0.52) SORD
SCHEMBL7177784 0.69 TP53 (0.55) SORDRAB9ANPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326591-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2003-07-16 — — EP claimed
WO-2002098429-A1 ETHANOLAMINE, DIETHANOLAMINE OR TRIETHANOLAMINE SALT OF ZOPOLRESTAT PFIZER PRODUCTS INC. (US) 2002-12-12 — — WO claimed
WO-2002032411-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-04-25 — — WO claimed
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-2002032411-A2 COMBINATION OF STATINS AND SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-04-25 — — WO disclosed
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