SCHEMBL7986015

SCHEMBL7986015

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
SIGMAR1 Q99720 4/20 0.44
KMT2A Q03164 1/20 0.42
CXCR3 P49682 1/20 0.41
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
CCR2 P41597 2/20 0.38
LTA4H P09960 1/20 0.38
CHRM1 P11229 2/20 0.38
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.37
CHRM4 P08173 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 SCHEMBL7972753 0.99 DRD4 (0.45) DRD4SIGMAR1KMT2ACXCR3FLT3
SCHEMBL7971899 0.92 DRD4 (0.52) DRD4SIGMAR1CXCR3FLT3TYRO3
Hydrochloric Acid SCHEMBL7971892 0.91 DRD4 (0.52) DRD4SIGMAR1CXCR3FLT3TYRO3
SCHEMBL7971755 0.89 DRD4 (0.53) DRD4SIGMAR1KMT2ACXCR3FLT3
Hydrochloric Acid SCHEMBL7983770 0.89 DRD4 (0.52) DRD4SIGMAR1CXCR3FLT3TYRO3
SCHEMBL8525416 0.87 DRD4 (0.48) DRD4SIGMAR1KMT2ACXCR3FLT3
SCHEMBL7986622 0.87 DRD4 (0.47) DRD4SIGMAR1KMT2ACXCR3FLT3
SCHEMBL7986721 0.87 DRD4 (0.47) DRD4SIGMAR1KMT2ACXCR3FLT3
SCHEMBL7987631 0.87 DRD4 (0.47) DRD4SIGMAR1KMT2ACXCR3FLT3
SCHEMBL7982426 0.87 LTA4H (0.47) DRD4LTA4HALDH1A1BLMCHRM4

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