SCHEMBL30245041

SCHEMBL30245041

COc1cccc(CN(Cc2cccc(OC)c2)c2cccc(COCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ MAOB P27338 7/20 0.48
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ CETP P11597 2/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL30245212 0.95 ALDH1A1 (0.47) QPCTALDH1A1MAOBTSHRMAPK1
SCHEMBL30245465 0.94 QPCT (0.51) QPCTMAOBIDO1AGXTCETP
SCHEMBL30245403 0.92 QPCT (0.52) QPCTMAOBIDO1AGXTCETP
SCHEMBL25297747 0.92 QPCT (0.47) QPCTALDH1A1MAOBIDO1AGXT
SCHEMBL30245736 0.92 QPCT (0.47) QPCTALDH1A1MAOBIDO1AGXT
SCHEMBL30245285 0.92 QPCT (0.47) QPCTALDH1A1MAOBIDO1AGXT
SCHEMBL30245069 0.92 MAOB (0.51) QPCTALDH1A1MAOBTSHRCETP
SCHEMBL25425051 0.92 QPCT (0.43) QPCTALDH1A1MAOBTSHRMAPK1
SCHEMBL30245268 0.90 QPCT (0.49) QPCTALDH1A1MAOBTSHRMAPK1
SCHEMBL30245690 0.90 CETP (0.50) QPCTMAOBIDO1AGXTCETP

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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