SCHEMBL8554312

SCHEMBL8554312

NNC(N)CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
ANPEP P15144 1/20 0.48
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KEAP1 Q14145 1/20 0.39
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL8557571 0.79 KEAP1 (0.45) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL372508 0.77 USP2 (0.58) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL4201455 0.77 USP2 (0.58) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL8557174 0.76 KEAP1 (0.52) ANPEPALDH1A1SMN1; SMN2KEAP1KDM4E
Hydrochloric Acid SCHEMBL18726103 0.75 ALDH1A1 (0.50) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL8558962 0.75 KEAP1 (0.50) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
Hydrochloric Acid SCHEMBL31053687 0.75 USP2 (0.56) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL8557644 0.74 KEAP1 (0.48) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL8557309 0.74 KEAP1 (0.48) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL8555711 0.74 KEAP1 (0.48) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA

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-0575954-B1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI SRL (IT) 1998-09-02 EP disclosed