SCHEMBL7983977

SCHEMBL7983977

CC(C)(C)OC(=O)N1CCC(CNC(=O)C2Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
TGFBR1 P36897 9/20 0.41
NAMPT P43490 1/20 0.40
ACKR3 P25106 1/20 0.40
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 1/20 0.40
TP53 P04637 1/20 0.39
RORC P51449 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
Hydrochloric Acid SCHEMBL7983445 0.81 CHRM3 (0.37) FPR3FPR2
SCHEMBL7981738 0.78 KDM4E (0.55) KDM4EPKMTGFBR1NAMPTACKR3
SCHEMBL7989480 0.74 KDM4E (0.47) KDM4EPKMTGFBR1NAMPTTP53
SCHEMBL7989477 0.74 KDM4E (0.47) KDM4EPKMTGFBR1NAMPTTP53
SCHEMBL7987167 0.72 KDM4E (0.45) KDM4EPKMNAMPTUSP30TP53
SCHEMBL8502163 0.72 KDM4E (0.49) KDM4EPKMFPR3FPR2TGFBR1
SCHEMBL8713112 0.72 GPR119 (0.45) KDM4EPKMTGFBR1
SCHEMBL7981945 0.71 KDM4E (0.44) KDM4EPKMNAMPTTP53
SCHEMBL13812320 0.70 KDM4E (0.60) KDM4EPKMFPR3FPR2KDM1A
SCHEMBL31402457 0.70 KDM4E (0.60) KDM4EPKMFPR3FPR2KMT2A

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