SCHEMBL6964615

SCHEMBL6964615

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(OC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TGFBR1 P36897 2/20 0.41
GPR119 Q8TDV5 1/20 0.39
PKM P14618 1/20 0.38
BRD4 O60885 2/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6974976 0.92 CCR8 (0.40) CCR8KDM4ETGFBR1GPR119PKM
SCHEMBL6963513 0.92 GPR119 (0.41) CCR8KDM4ETGFBR1GPR119PKM
SCHEMBL6975825 0.90 ITGB3 (0.44) CCR8KDM4ETGFBR1GPR119PKM
SCHEMBL7951214 0.89 TGFBR1 (0.44) KDM4ETGFBR1GPR119PKMMMP13
SCHEMBL6969507 0.88 ITGB3 (0.41)
SCHEMBL6962633 0.87 MMP13 (0.49) KDM4ETGFBR1GPR119PKMMMP13
SCHEMBL6969887 0.86 TGFBR1 (0.49) TGFBR1MMP13
SCHEMBL6976329 0.86 F2 (0.44) ALDH1A1SMN1; SMN2KDM4EHTTTGFBR1
SCHEMBL7139133 0.85 TGFBR1 (0.42) TGFBR1MMP13
SCHEMBL6963135 0.85 STS (0.48) KDM4ETGFBR1GPR119PKM

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