SCHEMBL30245166

SCHEMBL30245166

COc1cccc(CN(Cc2ccc(N3CCCC3)cc2)c2cccc(CN3CCN(C)CC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CASP1 P29466 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
GFER P55789 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
DRD3 P35462 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL25252729 1.00 SIGMAR1 (0.51) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL30245642 0.96 MAPT (0.54) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL30245504 0.95 MAPT (0.48) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL25301288 0.95 MAPT (0.48) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL30245820 0.94 SIGMAR1 (0.50) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL25253539 0.94 SIGMAR1 (0.50) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL25296926 0.93 MAPT (0.55) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL30245007 0.93 MAPT (0.55) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL30245261 0.93 SIGMAR1 (0.52) SIGMAR1CASP1CASP4CASP5MAPT
SCHEMBL25295037 0.92 SIGMAR1 (0.49) SIGMAR1CASP1MAPTTSHRKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO disclosed