SCHEMBL6977329

SCHEMBL6977329

CCOC(=O)C(CNC(=O)CCNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.43
MMP13 P45452 7/20 0.42
GPR119 Q8TDV5 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LIMK2 P53671 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
MMP2 P08253 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MYC P01106 1/20 0.39
MAX P61244 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
SCHEMBL6977326 1.00 TGFBR1 (0.43) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL7951214 0.93 TGFBR1 (0.44) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL6973594 0.93 ITGB3 (0.44) TGFBR1MMP13KDM4EBCHEACHE
SCHEMBL6973599 0.93 ITGB3 (0.44) TGFBR1MMP13KDM4EBCHEACHE
SCHEMBL7753284 0.90 MMP13 (0.47) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL6962633 0.90 MMP13 (0.49) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL7753201 0.88 MMP13 (0.46) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL6964258 0.88 MMP13 (0.50) TGFBR1MMP13GPR119KDM4EPKM
SCHEMBL6976930 0.88 TGFBR1 (0.45) TGFBR1MMP13
SCHEMBL6964185 0.87 GPR119 (0.48) MMP13GPR119LIMK2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed