SCHEMBL7400311

SCHEMBL7400311

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
GLS O94925 2/20 0.48
BACE1 P56817 2/20 0.47
CTSD P07339 1/20 0.47
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ACKR3 P25106 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
NR1H2 P55055 1/20 0.43
KDM1A O60341 1/20 0.42
FEN1 P39748 1/20 0.42
SCN9A Q15858 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
FAAH O00519 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
SCHEMBL7256012 0.92 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL32687738 0.92 GPR119 (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL20310041 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL5279948 0.88 GPR119 (0.49) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL8551901 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL1070437 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL8555556 0.88 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL6959152 0.86 GLS (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL4424219 0.86 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL3965741 0.86 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2AGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed