SCHEMBL7972522

SCHEMBL7972522

O=C(NCCCN1CCN(Cc2ccccc2)CC1=O)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
MCHR1 Q99705 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TYRO3 Q06418 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL7982356 0.99 APP (0.37) APPHRH3F2F10MCHR1
SCHEMBL7983600 0.93 MCHR1 (0.40) MCHR1SMN1; SMN2TYRO3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7985496 0.92 MCHR1 (0.39) MCHR1SMN1; SMN2TYRO3KDM4EALDH1A1
SCHEMBL7986336 0.92 SLC6A2 (0.41) MCHR1SMN1; SMN2HTR1DHTR1BTYRO3
SCHEMBL7972387 0.92 SLC6A2 (0.41) MCHR1SMN1; SMN2HTR1DHTR1BTYRO3
Hydrochloric Acid SCHEMBL7986019 0.91 SLC6A2 (0.41) MCHR1SMN1; SMN2HTR1DHTR1BTYRO3
Hydrochloric Acid SCHEMBL7972006 0.91 SLC6A2 (0.41) MCHR1SMN1; SMN2HTR1DHTR1BTYRO3
SCHEMBL7986609 0.89 DRD3 (0.44) HDAC6SMN1; SMN2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL7981722 0.88 DRD3 (0.44) HDAC6SMN1; SMN2DRD3ALDH1A1
SCHEMBL7984706 0.87 DRD3 (0.42) HDAC6SMN1; SMN2DRD3KDM4EALDH1A1

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