SCHEMBL7985625

SCHEMBL7985625

CCCC1CNCCN1C(=O)OC(C)(C)C.c1cc2ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.49
▸ ATM Q13315 2/20 0.44
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ GPR119 Q8TDV5 5/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CYP2D6 P10635 3/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A3 Q01959 3/20 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
SCHEMBL4309075 0.92 PARP1 (0.52) PARP1ATMCA1CA2CA4
SCHEMBL4312622 0.92 PARP1 (0.52) PARP1ATMCA1CA2CA4
SCHEMBL5081566 0.92 PARP1 (0.52) PARP1ATMCA1CA2CA4
SCHEMBL5224952 0.85 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL18129846 0.85 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL5224956 0.85 PARP1 (0.50) PARP1ATMCA1CA2CA4
SCHEMBL6110934 0.84 PARP1 (0.49) PARP1ATMCA1CA2CA4
SCHEMBL4856306 0.82 PARP1 (0.52) PARP1ATMCA1CA2CA4
SCHEMBL1283375 0.82 PARP1 (0.52) PARP1ATMCA1CA2CA4
SCHEMBL8117710 0.82 PARP1 (0.52) PARP1ATMCA1CA2CA4

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
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