SCHEMBL7399888

SCHEMBL7399888

CC(C)(C)OC(=O)N1CCC(CCc2cc3cc(C4OCCO4)sc3s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
GLS O94925 1/20 0.39
PKM P14618 1/20 0.39
GPR119 Q8TDV5 11/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL7403703 0.86 FAAH (0.42) FAAHKDM4EMAPTTHRBGLS
SCHEMBL7445509 0.83 GLS (0.43) FAAHKDM4EMAPTTHRBGLS
SCHEMBL7399174 0.83 ITGB3 (0.46) FAAHKDM4EMAPTTHRBGLS
Ethylene Glycol SCHEMBL7399885 0.74 GLS (0.37) FAAHKDM4EMAPTGLSPKM
SCHEMBL7370728 0.73 KDM4E (0.47) FAAHKDM4EPKMGPR119
SCHEMBL7401060 0.72 KDM4E (0.45) FAAHKDM4EMAPTTHRBGLS
SCHEMBL7399144 0.72 GLS (0.45) FAAHKDM4EMAPTTHRBGLS
SCHEMBL9035867 0.70 KDM4E (0.52) FAAHKDM4EPKMGPR119
SCHEMBL31622247 0.68 RECQL (0.54) FAAHKDM4EMAPTTHRBPKM
SCHEMBL7397624 0.67 KDM4E (0.44) FAAHKDM4EMAPTGLSPKM

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 5 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-5646000-A FLUORESCENT PROBES FOR INDENTIFYING ANTIPLATELET AGENTS MERCK & CO., INC. (US) 1997-07-08 US disclosed
WO-1996010181-A1 COMPOUNDS AND METHODS FOR IDENTIFYING ACTIVATED PLATELETS MERCK & CO., INC. (US) 1996-04-04 WO 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