SCHEMBL7971626

SCHEMBL7971626

O=C(NCC1CCN(CCOc2ccccc2F)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.44
DRD2 P14416 5/20 0.40
KDM1A O60341 4/20 0.39
GSK3B P49841 2/20 0.39
LYN P07948 1/20 0.39
GRK2 P25098 1/20 0.39
CLK1 P49759 1/20 0.39
GSK3A P49840 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK7 Q13164 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HTR1A P08908 2/20 0.38
HTR6 P50406 2/20 0.38
LIPG Q9Y5X9 1/20 0.38

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 SCHEMBL7986100 0.99 HTR7 (0.44) HTR7DRD2KDM1AGSK3BLYN
SCHEMBL7986166 0.96 HTR4 (0.42) HTR7GSK3BLYNGRK2CLK1
Hydrochloric Acid SCHEMBL7971705 0.95 HTR4 (0.41) HTR7GSK3BLYNGRK2CLK1
SCHEMBL7983159 0.90 HTR7 (0.43) HTR7DRD2KDM1AHDAC6HTR1A
SCHEMBL7986376 0.89 HTR7 (0.43) HTR7KDM1AGSK3BKCNH2
Hydrochloric Acid SCHEMBL7986997 0.89 HTR7 (0.42) HTR7DRD2KDM1AHDAC6HTR1A
Hydrochloric Acid SCHEMBL7982153 0.89 HTR7 (0.43) HTR7KDM1AGSK3BKCNH2
SCHEMBL7989146 0.89 HTR7 (0.49) HTR7DRD2KDM1AHDAC6
Hydrochloric Acid SCHEMBL7983742 0.88 HTR7 (0.49) HTR7DRD2KDM1AHDAC6
SCHEMBL7971613 0.87 KMT2A (0.41) GSK3B

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