SCHEMBL30245194

SCHEMBL30245194

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.63
▸ QPCTL Q9NXS2 3/20 0.40
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL30245717 0.92 QPCT (0.66) QPCTQPCTLMMP12
SCHEMBL25424858 0.92 QPCT (0.66) QPCTQPCTLMMP12
SCHEMBL30245768 0.90 QPCT (0.67) QPCTQPCTLMMP12
SCHEMBL25426422 0.90 QPCT (0.67) QPCTQPCTLMMP12
SCHEMBL30245668 0.89 QPCT (0.47) QPCTMMP13
SCHEMBL25424065 0.88 QPCT (0.67) QPCTQPCTLMMP12MMP13SPHK1
SCHEMBL30245126 0.88 QPCT (0.67) QPCTQPCTLMMP12MMP13SPHK1
SCHEMBL25425601 0.86 QPCT (0.67) QPCTQPCTLMMP12SPHK1
SCHEMBL30245097 0.86 QPCT (0.67) QPCTQPCTLMMP12SPHK1
SCHEMBL30244953 0.86 QPCT (0.75) QPCTQPCTLMMP12SPHK1

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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