SCHEMBL7972387

SCHEMBL7972387

O=C(NCCCN1CCN(CCCc2ccccc2)CC1=O)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
TYRO3 Q06418 4/20 0.37
CYP2D6 P10635 1/20 0.37
SMAD3 P84022 1/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HTR1D P28221 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
SCHEMBL7986336 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7986019 0.99 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7972006 0.99 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL7983600 0.96 MCHR1 (0.40) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7985496 0.95 MCHR1 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL7972522 0.92 APP (0.37) SMN1; SMN2TYRO3ALDH1A1GAAMCHR1
Hydrochloric Acid SCHEMBL7982356 0.91 APP (0.37) SMN1; SMN2TYRO3ALDH1A1GAAMCHR1
SCHEMBL7985583 0.91 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AHTTALDH1A1
Hydrochloric Acid SCHEMBL7983892 0.90 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL7987161 0.89 SMYD2 (0.42) SMN1; SMN2NPC1RAB9AHTTCYP2D6

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