SCHEMBL7983134

SCHEMBL7983134

O=C1NC(=O)c2c(CCCCN3CCc4ccccc4C3)cccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.57
HTR1A P08908 6/20 0.57
DRD3 P35462 4/20 0.57
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
HRH1 P35367 2/20 0.52
HTR2B P41595 1/20 0.49

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
SCHEMBL7983797 0.96 HTR7 (0.55) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL8667745 0.85 WEE1 (0.40) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL8557009 0.82 CHEK1 (0.47) HTR2A
SCHEMBL3174237 0.82 CHEK1 (0.47) DRD3DRD2HTR2AHRH1
SCHEMBL8554507 0.81 SIGMAR1 (0.47) HTR2AHRH1
SCHEMBL4910767 0.80 CHEK1 (0.50) HTR1ADRD2
SCHEMBL7983420 0.79 HTR1A (0.55) HTR7HTR1ADRD3DRD2
SCHEMBL7986525 0.79 CCR3 (0.56)
SCHEMBL8558051 0.79 CHEK1 (0.49) HTR1ADRD2
SCHEMBL8559090 0.79 CHEK1 (0.49) HTR1ADRD2

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