SCHEMBL7982546

SCHEMBL7982546

O=C(NCC1CCN(CCCc2ccc3ccccc3c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
DRD4 P21917 3/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
BCHE P06276 1/20 0.40
MAOB P27338 1/20 0.40
HTR4 Q13639 2/20 0.40
CXCR3 P49682 1/20 0.38
HTR7 P34969 1/20 0.38
CCR3 P51677 1/20 0.38
GRIN2B Q13224 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37

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 SCHEMBL7986046 0.99 LTA4H (0.41) LTA4HDRD4SLC6A2SLC6A4BCHE
SCHEMBL7989656 0.91 MCHR1 (0.44) DRD4BCHEMAOBCCR3SIGMAR1
SCHEMBL7982426 0.90 LTA4H (0.47) LTA4HDRD4MAOBHTR4GRIN2B
Hydrochloric Acid SCHEMBL7981956 0.90 MCHR1 (0.43) DRD4BCHEMAOBCCR3SIGMAR1
Hydrochloric Acid SCHEMBL7971795 0.90 LTA4H (0.47) LTA4HDRD4MAOBHTR4GRIN2B
SCHEMBL7981938 0.88 CACNA1I (0.43) LTA4HHTR7
SCHEMBL7983503 0.88 KDM1A (0.42) LTA4HSLC6A4HTR4HTR7CCR3
Hydrochloric Acid SCHEMBL7986708 0.88 LTA4H (0.44) LTA4HMAOBHTR4CCR3GRIN2B
SCHEMBL7972913 0.88 LTA4H (0.42) LTA4HMAOBHTR4HTR7CCR3
SCHEMBL7989275 0.88 CCR3 (0.47) LTA4HCCR3GRIN2B

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