SCHEMBL8452004

SCHEMBL8452004

O=C(O)C1C[C@H]2CCCCC2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
LMNA P02545 2/20 0.52
BLM P54132 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
CTSC P53634 4/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
SLC1A3 P43003 1/20 0.33
GRIK1 P39086 1/20 0.32

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
SCHEMBL5435908 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL1414979 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL14605825 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL5480201 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL497280 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL14052951 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL12408422 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL4550519 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL22418410 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL8244065 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724260-A1 Process for the synthesis of ¬2S, 3aR, 7aS|-octahydroindole-2-carboxylic acid and its conversion to trandolapril Sochinaz SA (CH) 2006-11-22 EP disclosed