SCHEMBL7983507

SCHEMBL7983507

O=C(NC1CCN(CCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.51
SIGMAR1 Q99720 1/20 0.50
CXCR3 P49682 1/20 0.43
PRKAA2 P54646 3/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
LTA4H P09960 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40

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 SCHEMBL7983306 0.99 DRD4 (0.50) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
SCHEMBL7971899 0.95 DRD4 (0.52) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
Hydrochloric Acid SCHEMBL7971892 0.94 DRD4 (0.52) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
SCHEMBL7971755 0.94 DRD4 (0.53) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
Hydrochloric Acid SCHEMBL7983770 0.93 DRD4 (0.52) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
SCHEMBL7986622 0.91 DRD4 (0.47) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
SCHEMBL7987631 0.91 DRD4 (0.47) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
SCHEMBL7986721 0.91 DRD4 (0.47) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
Hydrochloric Acid SCHEMBL7972322 0.91 DRD4 (0.46) DRD4SIGMAR1CXCR3PRKAA2PRKAB2
Hydrochloric Acid SCHEMBL7989815 0.91 DRD4 (0.46) DRD4SIGMAR1CXCR3PRKAA2PRKAB2

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