SCHEMBL7983600

SCHEMBL7983600

O=C(NCCCN1CCN(CCc2ccccc2)CC1=O)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TYRO3 Q06418 4/20 0.37
CYP2D6 P10635 1/20 0.37
SMAD3 P84022 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HTT P42858 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMYD2 Q9NRG4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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 SCHEMBL7985496 0.99 MCHR1 (0.39) MCHR1SLC6A2SLC6A4SLC6A3TYRO3
SCHEMBL7986336 0.96 SLC6A2 (0.41) MCHR1SLC6A2SLC6A4SLC6A3TYRO3
SCHEMBL7972387 0.96 SLC6A2 (0.41) MCHR1SLC6A2SLC6A4SLC6A3TYRO3
Hydrochloric Acid SCHEMBL7972006 0.95 SLC6A2 (0.41) MCHR1SLC6A2SLC6A4SLC6A3TYRO3
Hydrochloric Acid SCHEMBL7986019 0.95 SLC6A2 (0.41) MCHR1SLC6A2SLC6A4SLC6A3TYRO3
SCHEMBL7972522 0.93 APP (0.37) MCHR1TYRO3SMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL7982356 0.92 APP (0.37) MCHR1TYRO3SMN1; SMN2ALDH1A1GAA
SCHEMBL7984736 0.88 SMYD2 (0.46) CYP2D6SMAD3ALDH1A1GAASMYD2
Hydrochloric Acid SCHEMBL7981574 0.87 SMYD2 (0.45) CYP2D6SMAD3ALDH1A1GAASMYD2
SCHEMBL7985583 0.87 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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