SCHEMBL7177784

SCHEMBL7177784

C[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H](C)N1c1ccnc(CCO)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SORD Q00796 4/20 0.48
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ RBP4 P02753 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL6294478 0.82 TP53 (0.56) TP53MAPTSMN1; SMN2SORD
SCHEMBL7179704 0.73 SORD (0.80) SORD
SCHEMBL7177543 0.73 SORD (0.80) SORD
SCHEMBL7182215 0.70 SORD (0.47) SMN1; SMN2SORDDRD2DRD3NPC1
SCHEMBL7186896 0.69 SORD (0.46) SMN1; SMN2SORDNPC1RAB9AALDH1A1
SCHEMBL7185492 0.69 SORD (0.78) SORD
SCHEMBL7185163 0.68 SORD (0.68) SORD
SCHEMBL6504690 0.67 SORD (0.64) SORD
SCHEMBL7191979 0.67 SORD (0.46) SORDNPC1RAB9A
SCHEMBL7191374 0.66 SORD (0.63) 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 10 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-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-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
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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