SCHEMBL6977003

SCHEMBL6977003

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)c1c(C)noc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.38
MYC P01106 2/20 0.38
MAX P61244 2/20 0.38
ITGB3 P05106 10/20 0.38
ITGA2B P08514 10/20 0.38
ITGAV P06756 2/20 0.38
GPR119 Q8TDV5 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MMP13 P45452 1/20 0.33

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
SCHEMBL6970220 0.88 MYC (0.38) LMNAPOLBMYCMAXGPR119
SCHEMBL6966272 0.87 MYC (0.42) MYCMAXITGB3ITGA2BITGAV
SCHEMBL6967503 0.86 MYC (0.39) LMNAMYCMAXGPR119KDM4E
SCHEMBL6976765 0.86 MYC (0.39) MYCMAXGPR119KDM4EPKM
SCHEMBL7951214 0.85 TGFBR1 (0.44) GPR119KDM4EPKMMMP13
SCHEMBL6964258 0.85 MMP13 (0.50) LMNAMYCMAXGPR119KDM4E
SCHEMBL6968609 0.84 GPR119 (0.39) LMNAMYCMAXGPR119KDM4E
SCHEMBL6964185 0.84 GPR119 (0.48) GPR119MMP13
SCHEMBL6963385 0.84 STS (0.46) LMNAMYCMAXGPR119KDM4E
SCHEMBL6968993 0.84 MMP13 (0.50) GPR119KDM4EPKMMMP13

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