SCHEMBL7971899

SCHEMBL7971899

O=C(NC1CCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.52
CXCR3 P49682 1/20 0.44
FLT3 P36888 2/20 0.44
TYRO3 Q06418 2/20 0.44
MERTK Q12866 2/20 0.44
GAS6 Q14393 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
PRKAA2 P54646 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ALDH1A1 P00352 2/20 0.41
BLM P54132 1/20 0.41
CHRM4 P08173 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 SCHEMBL7971892 0.99 DRD4 (0.52) DRD4CXCR3FLT3TYRO3MERTK
SCHEMBL7971755 0.97 DRD4 (0.53) DRD4CXCR3FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7983770 0.97 DRD4 (0.52) DRD4CXCR3FLT3TYRO3MERTK
SCHEMBL8525416 0.95 DRD4 (0.48) DRD4CXCR3FLT3TYRO3MERTK
SCHEMBL7986721 0.95 DRD4 (0.47) DRD4CXCR3FLT3TYRO3MERTK
SCHEMBL7986622 0.95 DRD4 (0.47) DRD4CXCR3FLT3TYRO3MERTK
SCHEMBL7987631 0.95 DRD4 (0.47) DRD4CXCR3FLT3TYRO3MERTK
SCHEMBL7983507 0.95 DRD4 (0.51) DRD4CXCR3FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7972322 0.94 DRD4 (0.46) DRD4CXCR3FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7989815 0.94 DRD4 (0.46) DRD4CXCR3FLT3TYRO3MERTK

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 6 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 claimed
JP-11228416-A None JP disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
JP-H11228416-A LIPID REDUCING TAKEDA CHEM IND LTD 1999-08-24 JP 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