SCHEMBL7973018

SCHEMBL7973018

CC(C)(C)OC(=O)NCC1CCCN(CCCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.62
CHRNA4 P43681 8/20 0.62
SIGMAR1 Q99720 3/20 0.59
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CHRNB4 P30926 8/20 0.55
CHRNA3 P32297 8/20 0.55
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13573073 0.87 BCHE (0.59) KMT2A
SCHEMBL7392116 0.87 SIGMAR1 (0.55) CHRNB2CHRNA4SIGMAR1SLC6A2SLC6A4
SCHEMBL7385234 0.84 SIGMAR1 (0.52) CHRNB2CHRNA4SIGMAR1SLC6A2SLC6A4
SCHEMBL7392114 0.84 LTA4H (0.58) SIGMAR1LTA4HEPHX2KDM4EKMT2A
SCHEMBL7385230 0.84 SIGMAR1 (0.55) SIGMAR1LTA4HEPHX2
SCHEMBL7392112 0.84 LTA4H (0.58) SIGMAR1LTA4HEPHX2KDM4EKMT2A
SCHEMBL7385226 0.84 SIGMAR1 (0.55) SIGMAR1LTA4HEPHX2
SCHEMBL1707811 0.83 SIGMAR1 (0.56) CHRNB2CHRNA4SIGMAR1CHRNB4CHRNA3
SCHEMBL7388024 0.81 SIGMAR1 (0.48) SIGMAR1
SCHEMBL24833934 0.81 SIGMAR1 (0.57) SIGMAR1LTA4HKDM4E

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