SCHEMBL7981455

SCHEMBL7981455

CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1ccc2c(c1)CN(CCCc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 8/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
MAPK1 P28482 3/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
CYP2C19 P33261 2/20 0.37
THPO P40225 2/20 0.37
MTOR P42345 2/20 0.37
RAB9A P51151 2/20 0.37
HIF1A Q16665 2/20 0.37
ALOX15 P16050 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
SCHEMBL7987367 0.71
SCHEMBL4848474 0.70 CYP4F2 (0.39) ALOX15
SCHEMBL169723 0.70 PNMT (0.40)
SCHEMBL8795978 0.69 TRPA1 (0.32)
SCHEMBL8796135 0.69 TSHR (0.34) SMN1; SMN2SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL168862 0.69 ESR2 (0.55) SIGMAR1MAPK1
SCHEMBL10383389 0.68 SIGMAR1 (0.63) SIGMAR1MAPTALDH1A1
SCHEMBL7982875 0.67 SIGMAR1 (0.49) HRH3SIGMAR1OPRM1
SCHEMBL7984485 0.67 NAMPT (0.60) HRH3SIGMAR1
SCHEMBL2745021 0.67 LTA4H (0.38) TSHR

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