SCHEMBL30245331

SCHEMBL30245331

COc1cccc(CN(Cc2cccc(OC)c2)c2ccc(OCCOCCOc3cccc(OC)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MAOB P27338 5/20 0.46
▸ MAPT P10636 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42

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
SCHEMBL30245218 0.93 ALDH1A1 (0.48) QPCTALDH1A1TSHRMAPK1HRH3
SCHEMBL30245268 0.91 QPCT (0.49) QPCTALDH1A1TSHRMAPK1HRH3
SCHEMBL30245462 0.90 QPCT (0.48) QPCTALDH1A1TSHRMAOBSLC2A1
SCHEMBL30245592 0.87 QPCT (0.50) QPCTTSHRMAPK1MAOB
SCHEMBL25253058 0.87 HRH3 (0.49) QPCTALDH1A1TSHRHRH3MAPT
SCHEMBL30244917 0.87 HRH3 (0.49) QPCTALDH1A1TSHRHRH3MAPT
SCHEMBL30245041 0.86 QPCT (0.49) QPCTALDH1A1TSHRMAPK1HRH3
SCHEMBL30244968 0.86 QPCT (0.49) QPCTTSHRMAPK1MAOB
SCHEMBL25425381 0.85 QPCT (0.72) QPCTALDH1A1
SCHEMBL30245241 0.85 ALDH1A1 (0.46) QPCTALDH1A1TSHRMAPK1HRH3

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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