SCHEMBL7986012

SCHEMBL7986012

NC(=O)C(NC(=O)C1=Cc2cnc3cccc(n23)S1)C1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
BLM P54132 1/20 0.39
DRD4 P21917 3/20 0.38
USP2 O75604 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GRIN2B Q13224 1/20 0.35
KCNH2 Q12809 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 1/20 0.35

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 SCHEMBL7972751 0.99 ALDH1A1 (0.38) ALDH1A1BLMDRD4USP2CHRM3
SCHEMBL7971899 0.84 DRD4 (0.52) ALDH1A1BLMDRD4USP2CHRM3
Hydrochloric Acid SCHEMBL7971892 0.84 DRD4 (0.52) ALDH1A1BLMDRD4USP2CHRM3
SCHEMBL7982426 0.83 LTA4H (0.47) ALDH1A1BLMDRD4GRIN2BKCNH2
Hydrochloric Acid SCHEMBL7971795 0.82 LTA4H (0.47) ALDH1A1BLMDRD4GRIN2BKCNH2
SCHEMBL7971755 0.82 DRD4 (0.53) DRD4KDM4EMEN1TSHRKMT2A
SCHEMBL8525416 0.82 DRD4 (0.48) ALDH1A1BLMDRD4USP2KDM4E
SCHEMBL7989522 0.82 CHRM4 (0.53) DRD4GRIN2B
Hydrochloric Acid SCHEMBL7983770 0.81 DRD4 (0.52) DRD4KDM4EFLT3TYRO3MERTK
SCHEMBL7986622 0.81 DRD4 (0.47) DRD4KDM4EKMT2AFLT3TYRO3

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