SCHEMBL9232154

SCHEMBL9232154

CC=C[C@@H](O)CNCCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
GAPDH P04406 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
MAPT P10636 1/20 0.31
ABCB1 P08183 2/20 0.30

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
SCHEMBL1846261 0.82
SCHEMBL1846260 0.82
SCHEMBL6672448 0.76
SCHEMBL21003427 0.74 ANPEP (0.34) ANPEPADH1BADH1AADH7
SCHEMBL1847658 0.72
SCHEMBL9176055 0.72
SCHEMBL2156474 0.72
SCHEMBL11424430 0.71
SCHEMBL3259539 0.71 ANPEP (0.46) ANPEPADH1BADH1AADH7ABCB1
SCHEMBL1238068 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647634-A1 Method of preparing a heterocyclic intermediate for the production of optically active aryloxy-substituted vicinal aminoalcohols DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-04-12 EP disclosed
EP-0647633-A1 Method of preparing a heterocyclic intermediate for the production of optically active aryloxysubstituted vicinal aminoalcohols DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-04-12 EP disclosed