SCHEMBL7987167

SCHEMBL7987167

CC(C)(C)OC(=O)N1CCC(CCNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
ADORA2B P29275 5/20 0.43
ADORA2A P29274 4/20 0.43
NAMPT P43490 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL7981945 0.95 KDM4E (0.44) KDM4EPKMNAMPTGPR119LMNA
SCHEMBL7981738 0.92 KDM4E (0.55) KDM4EPKMNAMPTLMNATP53
SCHEMBL7989610 0.87 ACKR3 (0.50) LMNATP53MAPT
SCHEMBL7983268 0.84 LIMK2 (0.47) KDM4EPKMGPR119
SCHEMBL7989896 0.83 ACKR3 (0.49) LMNATP53MAPT
SCHEMBL7983299 0.82 NAMPT (0.39) KDM4EPKMNAMPTGPR119LMNA
Hydrochloric Acid SCHEMBL7983069 0.81 ITGB3 (0.44) NAMPTL3MBTL1
SCHEMBL7984557 0.81 ACKR3 (0.40) NAMPTLMNATP53MAPTL3MBTL1
SCHEMBL7989477 0.80 KDM4E (0.47) KDM4EPKMNAMPTGPR119TP53
SCHEMBL7989480 0.80 KDM4E (0.47) KDM4EPKMNAMPTGPR119TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed