SCHEMBL7983503

SCHEMBL7983503

O=C(NCC1CCN(CCCc2cccc(F)c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
CCR3 P51677 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR7 P34969 1/20 0.40
GSK3B P49841 3/20 0.39
ACHE P22303 1/20 0.39
LTA4H P09960 1/20 0.39
HTR4 Q13639 1/20 0.38
GRIN2B Q13224 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 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 SCHEMBL7981947 0.99 KDM1A (0.41) KDM1ACCR3DRD2SLC6A4SLC6A3
SCHEMBL7982506 0.95 HTR7 (0.41) CCR3SLC6A3HTR7GSK3BACHE
Hydrochloric Acid SCHEMBL7983327 0.94 HTR7 (0.41) CCR3SLC6A3HTR7GSK3BACHE
SCHEMBL7989275 0.92 CCR3 (0.47) KDM1ACCR3LTA4HGRIN2B
Hydrochloric Acid SCHEMBL7986155 0.91 CCR3 (0.47) KDM1ACCR3LTA4HGRIN2B
SCHEMBL7982426 0.91 LTA4H (0.47) KDM1AGSK3BLTA4HHTR4GRIN2B
SCHEMBL7981938 0.91 CACNA1I (0.43) HTR7GSK3BACHELTA4H
Hydrochloric Acid SCHEMBL7971795 0.90 LTA4H (0.47) KDM1AGSK3BLTA4HHTR4GRIN2B
SCHEMBL7986176 0.90 KCNH2 (0.46) CCR3LTA4H
Hydrochloric Acid SCHEMBL7986131 0.90 CACNA1I (0.42) HTR7GSK3BACHELTA4H

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