SCHEMBL7403703

SCHEMBL7403703

CC(C)(C)OC(=O)N1CCC(CCc2cc3sc(C4OCCO4)cc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
GPR119 Q8TDV5 11/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GLS O94925 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL7399888 0.86 FAAH (0.41) FAAHGPR119SCN9AKDM4EMAPT
SCHEMBL7401060 0.82 KDM4E (0.45) FAAHGPR119KDM4EMAPTTHRB
SCHEMBL7399144 0.82 GLS (0.45) FAAHGPR119KDM4EMAPTTHRB
SCHEMBL7370728 0.75 KDM4E (0.47) FAAHGPR119KDM4EPKM
Ethylene Glycol SCHEMBL7403700 0.73 GLS (0.38) FAAHGPR119KDM4EGLSPKM
SCHEMBL7445509 0.72 GLS (0.43) FAAHGPR119KDM4EMAPTTHRB
SCHEMBL7399174 0.72 ITGB3 (0.46) FAAHGPR119KDM4EMAPTTHRB
SCHEMBL9035867 0.71 KDM4E (0.52) FAAHGPR119KDM4EPKM
SCHEMBL20015308 0.70 DPP4 (0.65) GPR119SCN9AKDM4EPKMDPP4
SCHEMBL31622247 0.70 RECQL (0.54) FAAHGPR119KDM4EMAPTTHRB

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