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SCHEMBL6974976

SCHEMBL6974976

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccc(Cl)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 8/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MYC P01106 1/20 0.38
▸ MAX P61244 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ STS P08842 1/20 0.36

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
SCHEMBL6963513 0.92 GPR119 (0.41) CCR8GPR119KDM4EPKMBRD4
SCHEMBL6964615 0.92 CCR8 (0.42) CCR8GPR119KDM4EPKMBRD4
SCHEMBL6975825 0.91 ITGB3 (0.44) CCR8GPR119KDM4EPKMTGFBR1
SCHEMBL7951214 0.89 TGFBR1 (0.44) GPR119KDM4EPKMTGFBR1MMP1
SCHEMBL6969507 0.89 ITGB3 (0.41) —
SCHEMBL6963385 0.87 STS (0.46) GPR119KDM4EPKMMYCMAX
SCHEMBL6962633 0.87 MMP13 (0.49) GPR119KDM4EPKMTGFBR1MMP1
SCHEMBL6963135 0.86 STS (0.48) GPR119KDM4EPKMTGFBR1STS
SCHEMBL6964258 0.86 MMP13 (0.50) GPR119KDM4EPKMMYCMAX
SCHEMBL6976930 0.85 TGFBR1 (0.45) TGFBR1MMP13

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