SCHEMBL6973933

SCHEMBL6973933

CCOC(=O)CCNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
FAAH O00519 1/20 0.34
TPSAB1 Q15661 1/20 0.34

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
SCHEMBL6964406 0.86 KDM4E (0.41) KDM4EPKMLMNATHRBMEN1
SCHEMBL6977865 0.85 GPR119 (0.41) KDM4EPKMLMNATHRBMEN1
Hydrochloric Acid SCHEMBL7953851 0.84 GPR119 (0.40) KDM4EPKMLMNATHRBMEN1
SCHEMBL6972128 0.82 GPR119 (0.40) KDM4EPKMLMNATHRBGPR119
SCHEMBL6968609 0.80 GPR119 (0.39) KDM4EPKMLMNATHRBGPR119
SCHEMBL6969250 0.80 NPC1 (0.43) KDM4EPKMLMNATHRBALDH1A1
SCHEMBL6966451 0.79 KDM4E (0.45) KDM4EPKMLMNATHRBGPR119
SCHEMBL7943624 0.79 KDM4E (0.52) KDM4EPKMLMNAGPR119L3MBTL1
SCHEMBL6964219 0.79 ITGB3 (0.43) KDM4EPKMLMNATHRBGPR119
SCHEMBL6971137 0.79 KDM4E (0.41) KDM4EPKMLMNATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed