SCHEMBL7971897

SCHEMBL7971897

CCc1ccccc1N1CCCN(C(=O)CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 5/20 0.47
RBP4 P02753 2/20 0.45
GFER P55789 2/20 0.44
POLB P06746 2/20 0.44
EIF4H Q15056 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7983470 0.95 SIGMAR1 (0.59) SIGMAR1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL10274715 0.83 RBP4 (0.66) SIGMAR1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL7986047 0.82 CKS1B (0.57) KMT2AMEN1ALDH1A1GAA
SCHEMBL13039955 0.81 SIGMAR1 (0.59) SIGMAR1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL27495677 0.80 SIGMAR1 (0.55) SIGMAR1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL1329658 0.78 TSHR (0.62) SIGMAR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL8527250 0.77 NCF1 (0.52) SIGMAR1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL7981893 0.77 GAA (0.56) ALDH1A1GAA
SCHEMBL4472678 0.76 TSHR (0.60) SIGMAR1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL7971891 0.76 SIGMAR1 (0.80) SIGMAR1KMT2AMEN1TSHRDRD2

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