SCHEMBL30245045

SCHEMBL30245045

COc1cccc(COCCOCc2ccc(N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.51
▸ IDO1 P14902 2/20 0.49
▸ AGXT P21549 2/20 0.49
▸ MAOB P27338 6/20 0.47
▸ CALM1 P0DP23 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ CHRM3 P20309 2/20 0.42
▸ CETP P11597 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL30245472 0.99 QPCT (0.50) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245640 0.95 QPCT (0.49) QPCTIDO1AGXTMAOBCALM1
SCHEMBL25046128 0.94 QPCT (0.53) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245847 0.94 QPCT (0.53) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245848 0.93 QPCT (0.46) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245702 0.92 QPCT (0.45) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245268 0.91 QPCT (0.49) QPCTMAOB
SCHEMBL30245403 0.90 QPCT (0.52) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245465 0.89 QPCT (0.51) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245690 0.88 CETP (0.50) QPCTIDO1AGXTMAOBCALM1

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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