SCHEMBL30244877

SCHEMBL30244877

COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC2A4 P14672 3/20 0.39
▸ CETP P11597 2/20 0.39
▸ SLC2A8 Q9NY64 1/20 0.39
▸ SLC2A1 P11166 4/20 0.39

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
SCHEMBL30245420 0.94 QPCT (0.44) QPCTALDH1A1TSHRHRH3MAPK1
SCHEMBL30245668 0.90 QPCT (0.47) QPCTTSHRMAPTMAOBCETP
SCHEMBL30245488 0.89 QPCT (0.47) QPCTMAPK1SLC2A4CETPSLC2A8
SCHEMBL25258029 0.89 HRH3 (0.45) QPCTALDH1A1TSHRHRH3MAPT
SCHEMBL30245213 0.89 HRH3 (0.45) QPCTALDH1A1TSHRHRH3MAPT
SCHEMBL30245279 0.88 QPCT (0.47) QPCTMAPK1SLC2A4CETPSLC2A8
SCHEMBL29194586 0.88 QPCT (0.47) QPCTMAPK1SLC2A4CETPSLC2A8
SCHEMBL30245717 0.88 QPCT (0.66) QPCTALDH1A1MAPT
SCHEMBL25424858 0.88 QPCT (0.66) QPCTALDH1A1MAPT
SCHEMBL25424367 0.87 PTGER2 (0.41) QPCTALDH1A1TSHRHRH3MAOB

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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