SCHEMBL25424668

SCHEMBL25424668

COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)c2ccnc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 2/20 0.40
▸ QPCT Q16769 2/20 0.38
▸ SLC2A4 P14672 2/20 0.37
▸ SLC2A8 Q9NY64 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.36
▸ SLC2A1 P11166 6/20 0.36
▸ CETP P11597 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL25426144 0.94 PTGER2 (0.44) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25424367 0.92 PTGER2 (0.41) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL30245811 0.90 PTGER2 (0.42) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25425398 0.90 PTGER2 (0.42) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25426210 0.89 PTGER2 (0.38) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25428066 0.88 PTGER2 (0.40) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL30245488 0.88 QPCT (0.47) QPCTSLC2A4SLC2A8SLC2A1CETP
SCHEMBL25424800 0.87 PTGER2 (0.44) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25424546 0.87 PTGER2 (0.40) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL30245444 0.87 PTGER2 (0.40) PTGER2QPCTSLC2A4SLC2A8DGAT2

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 8 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
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN 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
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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