SCHEMBL17009205

SCHEMBL17009205

COC(=O)[C@@H]1CC(=O)CCN1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP2 P08253 1/20 0.45
ANPEP P15144 1/20 0.45
FKBP1A P62942 1/20 0.45
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2321991 0.88 MAPT (0.44) ALDH1A1SMN1; SMN2POLBKMT2AL3MBTL1
SCHEMBL31561934 0.87 FKBP1A (0.49) LTA4HALDH1A1MMP2ANPEPFKBP1A
SCHEMBL29273277 0.85 GRM2 (0.50) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2772367 0.83 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL2772130 0.83 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL2772128 0.83 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL26502806 0.81 FKBP1A (0.43) ALDH1A1SMN1; SMN2MMP2ANPEPFKBP1A
SCHEMBL2770248 0.81 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL2774396 0.81 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL2770247 0.81 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1A

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
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed