SCHEMBL7256012

SCHEMBL7256012

CC(C)(C)OC(=O)N1CCCC(CCI)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
BACE1 P56817 2/20 0.48
CTSD P07339 1/20 0.48
GLS O94925 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 1/20 0.46
KDM1A O60341 1/20 0.46
ACKR3 P25106 1/20 0.46
NR1H2 P55055 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
FEN1 P39748 1/20 0.44
SCN9A Q15858 1/20 0.44
EPHX1 P07099 1/20 0.42
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL7400311 0.92 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL32687619 0.91 NR1H2 (0.47) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7260840 0.91 NR1H2 (0.47) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL343699 0.91 NR1H2 (0.47) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL23325142 0.88 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL20268177 0.88 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL2070126 0.88 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL6407123 0.87 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL771181 0.87 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2ABACE1
SCHEMBL12844406 0.87 ALDH1A1 (0.53) MEN1ALDH1A1MAPTKMT2ABACE1

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-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed