SCHEMBL6653296

SCHEMBL6653296

Cn1c(C#N)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.46
PGR P06401 6/20 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
SCHEMBL22319938 0.84 AR (0.43) ARPGR
SCHEMBL6348407 0.79 AR (0.42) ARPGR
SCHEMBL11364366 0.77 PTGS1 (0.46) ARPGR
SCHEMBL13141384 0.75 AR (0.42) ARPGR
SCHEMBL22366377 0.74 ALDH1A1 (0.43) ARPGR
SCHEMBL11380054 0.74 HPGD (0.46) ARPGR
SCHEMBL7759328 0.73 KDM4E (0.47) AR
SCHEMBL5158088 0.73
SCHEMBL22319850 0.69 CYP4F2 (0.44) ARPGR
SCHEMBL12820842 0.69

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-0956294-B1 THROMBIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed
CN-1289341-A Thrombin inhibitors BASF AG (DE) 2001-03-28 CN disclosed
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
CN-1228783-A Novel thrombin inhibitors BASF AG (DE) 1999-09-15 CN disclosed