SCHEMBL30245642

SCHEMBL30245642

COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)c2cccc(CN3CCN(C)CC3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
TSHR P16473 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.52
DRD2 P14416 5/20 0.49
DRD4 P21917 4/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD3 P35462 2/20 0.47
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
LMNA P02545 1/20 0.47
ABCB1 P08183 1/20 0.46

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 0.96 SIGMAR1 (0.51) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL30245166 0.96 SIGMAR1 (0.51) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL30245504 0.95 MAPT (0.48) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL25301288 0.95 MAPT (0.48) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL25254755 0.94 KDM4E (0.48) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL25295037 0.94 SIGMAR1 (0.49) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL30245547 0.94 SIGMAR1 (0.49) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL30245392 0.94 KDM4E (0.48) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL25248944 0.93 KDM4E (0.57) MAPTTSHRSIGMAR1KDM4EALDH1A1
SCHEMBL30245419 0.93 MAPT (0.60) MAPTTSHRSIGMAR1KDM4EALDH1A1

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 5 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-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