SCHEMBL30245998

SCHEMBL30245998

COc1cccc(COc2cccc(N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.60
▸ QPCT Q16769 1/20 0.56
▸ CETP P11597 1/20 0.52
▸ IDO1 P14902 2/20 0.51
▸ AGXT P21549 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ SLC2A4 P14672 1/20 0.51
▸ APP P05067 1/20 0.50
▸ BCHE P06276 1/20 0.50

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
SCHEMBL30245953 0.88 MAOB (0.64) MAOBQPCTIDO1AGXTSLC2A1
SCHEMBL30246005 0.87 QPCT (0.54) MAOBQPCTCETPIDO1AGXT
SCHEMBL25045945 0.87 QPCT (0.54) MAOBQPCTCETPIDO1AGXT
SCHEMBL30245310 0.85 QPCT (0.53) MAOBQPCTCETPAPPBCHE
SCHEMBL30245403 0.84 QPCT (0.52) MAOBQPCTCETPIDO1AGXT
SCHEMBL30245693 0.83 QPCT (0.52) MAOBQPCTCETPAPPBCHE
SCHEMBL30245041 0.83 QPCT (0.49) MAOBQPCTCETPIDO1AGXT
SCHEMBL30245465 0.83 QPCT (0.51) MAOBQPCTCETPIDO1AGXT
SCHEMBL30438881 0.83 CALM1 (0.57) MAOBQPCTCETPIDO1AGXT
SCHEMBL6678782 0.83 MTNR1A (0.65) MAOBQPCTCETP

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 4 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 disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN 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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