SCHEMBL7972896

SCHEMBL7972896

C[C@@H]1CN(CCCCN)[C@@H](C)CN1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.62
MAPT P10636 1/20 0.50
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
HRH2 P25021 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL7972903 1.00 SIGMAR1 (0.62) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL7972898 1.00 SIGMAR1 (0.62) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL6742274 0.83 MAPT (0.66) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL6742277 0.83 MAPT (0.66) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL6741206 0.82 MAPT (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL27979641 0.82 MAPT (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL4048121 0.82 MAPT (0.68) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL3327949 0.81 SIGMAR1 (0.60) SIGMAR1MAPTPDK1PDK2PDK3
SCHEMBL7983385 0.79 SIGMAR1 (0.55) SIGMAR1
SCHEMBL7983388 0.79 SIGMAR1 (0.55) SIGMAR1

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