SCHEMBL30245771

SCHEMBL30245771

COc1cccc(CN(Cc2ccc(N3CCCC3)cc2)c2ccnc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.37
▸ QPCT Q16769 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ F10 P00742 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ ABCB1 P08183 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ APP P05067 1/20 0.34
▸ SLC2A4 P14672 1/20 0.34
▸ SLC2A8 Q9NY64 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KIT P10721 1/20 0.34

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
SCHEMBL25257583 1.00 CETP (0.37) CETPQPCTHRH3F10CNR1
SCHEMBL30245083 0.94 KIT (0.39) CETPQPCTF10ABCB1KIT
SCHEMBL29194746 0.94 KIT (0.39) CETPQPCTF10ABCB1KIT
SCHEMBL30245826 0.94 QPCT (0.37) CETPQPCTHRH3F10LTA4H
SCHEMBL25260059 0.94 QPCT (0.37) CETPQPCTHRH3F10LTA4H
SCHEMBL30245935 0.94 FGFR1 (0.42) CETPQPCTF10FGFR1KDR
SCHEMBL29194558 0.94 FGFR1 (0.42) CETPQPCTF10FGFR1KDR
SCHEMBL25253113 0.91 QPCT (0.41) CETPQPCTHRH3F10CNR1
SCHEMBL30245239 0.91 QPCT (0.41) CETPQPCTHRH3F10CNR1
SCHEMBL25251894 0.90 CETP (0.40) CETPQPCTHRH3CNR1CNR2

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
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