SCHEMBL30245826

SCHEMBL30245826

COc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2ccnc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ F10 P00742 2/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ AGXT P21549 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33

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
SCHEMBL25260059 1.00 QPCT (0.37) QPCTHRH3MAPTNPC1KDM4E
SCHEMBL25296124 0.94 NPC1 (0.38) QPCTMAPTNPC1KDM4EGFER
SCHEMBL30245771 0.94 CETP (0.37) QPCTHRH3MAPTF10LTA4H
SCHEMBL25257583 0.94 CETP (0.37) QPCTHRH3MAPTF10LTA4H
SCHEMBL30245164 0.94 NPC1 (0.38) QPCTMAPTNPC1KDM4EGFER
SCHEMBL29194662 0.93 FGFR1 (0.42) QPCTMAPTNPC1KDM4EGFER
SCHEMBL30245502 0.93 FGFR1 (0.42) QPCTMAPTNPC1KDM4EGFER
SCHEMBL25254076 0.91 QPCT (0.41) QPCTHRH3MAPTNPC1KDM4E
SCHEMBL30245369 0.91 QPCT (0.41) QPCTHRH3MAPTNPC1KDM4E
SCHEMBL25257585 0.90 HRH3 (0.40) QPCTHRH3MAPTNPC1KDM4E

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
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