SCHEMBL7399144

SCHEMBL7399144

CC(C)(C)OC(=O)N1CCC(CCc2cc3sc(C=O)cc3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.45
FAAH O00519 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 14/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 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
Ethylene Glycol SCHEMBL7403700 0.89 GLS (0.38) GLSFAAHKDM4EPKMGPR119
SCHEMBL7445509 0.85 GLS (0.43) GLSFAAHKDM4EPKMGPR119
SCHEMBL7401060 0.85 KDM4E (0.45) GLSFAAHKDM4EPKMGPR119
SCHEMBL7403703 0.82 FAAH (0.42) GLSFAAHKDM4EPKMGPR119
SCHEMBL7403382 0.79 KDM4E (0.42) GLSFAAHKDM4EPKMGPR119
SCHEMBL7370728 0.77 KDM4E (0.47) FAAHKDM4EPKMGPR119
Ethylene Glycol SCHEMBL7399885 0.76 GLS (0.37) GLSFAAHKDM4EPKMGPR119
SCHEMBL7399174 0.74 ITGB3 (0.46) GLSFAAHKDM4EPKMGPR119
SCHEMBL27393684 0.74 FAAH (0.49) FAAHKDM4EPKMGPR119
SCHEMBL9035867 0.74 KDM4E (0.52) FAAHKDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714295-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-12-20 EP disclosed
US-5397791-A Anticoagulants MERCK & CO., INC. (US) 1995-03-14 US disclosed
WO-1995004531-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-02-16 WO disclosed