SCHEMBL7370728

SCHEMBL7370728

CC(C)(C)OC(=O)N1CCC(CCc2cc3ccc(C(=O)O)cc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 12/20 0.46
KMT2A Q03164 1/20 0.42
MMP13 P45452 1/20 0.42
FAAH O00519 1/20 0.41
CHEK2 O96017 1/20 0.41
LIMK2 P53671 1/20 0.40

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
SCHEMBL7401060 0.81 KDM4E (0.45) KDM4EPKMGPR119FAAH
SCHEMBL7399174 0.80 ITGB3 (0.46) KDM4EPKMGPR119FAAH
SCHEMBL12736015 0.78 KDM4E (0.56) KDM4EPKMGPR119KMT2AFAAH
SCHEMBL7440251 0.78 KDM4E (0.53) KDM4EPKMGPR119KMT2A
SCHEMBL7399144 0.77 GLS (0.45) KDM4EPKMGPR119FAAH
SCHEMBL1532734 0.77 KDM4E (0.57) KDM4EPKMGPR119KMT2A
SCHEMBL7445509 0.76 GLS (0.43) KDM4EPKMGPR119FAAH
SCHEMBL7403703 0.75 FAAH (0.42) KDM4EPKMGPR119FAAH
SCHEMBL7402191 0.74 GPR119 (0.55) KDM4EPKMGPR119KMT2AFAAH
SCHEMBL7397624 0.74 KDM4E (0.44) KDM4EPKMGPR119MMP13FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664792-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-01-05 EP disclosed
US-5721253-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-24 US disclosed
EP-0664792-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-09-25 EP disclosed
US-5559127-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-09-24 US disclosed
EP-0664792-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-08-02 EP disclosed
WO-1994008962-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed