SCHEMBL30245261

SCHEMBL30245261

COc1cccc(CN(Cc2ccc(N3CCCC3)cc2)c2ccc(CN3CCN(C)CC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
CASP1 P29466 1/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49
LMNA P02545 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
CHKA P35790 2/20 0.46
GFER P55789 1/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL30245540 0.96 KDM4E (0.57) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25248944 0.96 KDM4E (0.57) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL30245608 0.95 KDM4E (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25262872 0.95 KDM4E (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL30245251 0.94 KDM4E (0.57) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25253290 0.94 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL30245515 0.94 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25252729 0.93 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL30245166 0.93 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL25292297 0.92 KDM4E (0.50) SIGMAR1KDM4EALDH1A1SMN1; SMN2MAPT

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