SCHEMBL7310643

SCHEMBL7310643

CC(C)(C)OC(=O)N1CCC(CCN2CCc3sccc3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
GPR119 Q8TDV5 13/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL1015935 0.79 ESR2 (0.58) PRMT5WDR77GPR119KDM4E
SCHEMBL7320226 0.79 GPR119 (0.48) GPR119KDM4EPKM
SCHEMBL27007016 0.78 HPGD (0.48) GPR119KDM4EPKM
SCHEMBL3005376 0.78 ESR2 (0.52) PRMT5WDR77GPR119KDM4E
SCHEMBL4508565 0.77 GPR119 (0.48) GPR119KDM4EPKM
SCHEMBL6152184 0.74 HPGD (0.56) GPR119KDM4EPKM
SCHEMBL3159388 0.72 HPGD (0.58) GPR119KDM4EPKM
SCHEMBL28824366 0.72 ESR2 (0.48) GPR119KDM4E
SCHEMBL976218 0.71 ESR2 (0.58) PRMT5WDR77KDM4E
SCHEMBL11889711 0.71 HPGD (0.47) GPR119KDM4EPKM

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-0698023-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-08-23 EP disclosed
EP-0698023-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-07-02 EP disclosed
EP-0698023-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-02-28 EP disclosed
WO-1994026745-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-11-24 WO disclosed
US-5334596-A Anticoagulants MERCK & CO., INC. (US) 1994-08-02 US disclosed