SCHEMBL30245085

SCHEMBL30245085

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2cccc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.74
▸ MMP12 P39900 1/20 0.45
▸ QPCTL Q9NXS2 3/20 0.45
▸ CETP P11597 1/20 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
SCHEMBL25427179 0.95 QPCT (0.70) QPCTMMP12QPCTL
SCHEMBL30245503 0.95 QPCT (0.70) QPCTMMP12QPCTL
SCHEMBL30245274 0.94 QPCT (0.65) QPCTMMP12QPCTL
SCHEMBL25427271 0.94 QPCT (0.65) QPCTMMP12QPCTL
SCHEMBL30245326 0.93 QPCT (0.64) QPCTMMP12QPCTL
SCHEMBL25426407 0.93 QPCT (0.64) QPCTMMP12QPCTL
SCHEMBL25426433 0.92 QPCT (0.74) QPCTMMP12QPCTLCETP
SCHEMBL30245421 0.92 QPCT (0.74) QPCTMMP12QPCTLCETP
SCHEMBL25425547 0.92 QPCT (0.65) QPCTMMP12QPCTL
SCHEMBL30245219 0.92 QPCT (0.65) QPCTMMP12QPCTL

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 5 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-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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