SCHEMBL25424367

SCHEMBL25424367

COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)c2ccnc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 2/20 0.41
▸ QPCT Q16769 2/20 0.39
▸ SLC2A4 P14672 2/20 0.38
▸ SLC2A8 Q9NY64 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ SLC2A1 P11166 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAOB P27338 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
SCHEMBL25428277 0.93 PTGER2 (0.40) PTGER2QPCTDGAT2SLC2A1MAOB
SCHEMBL25424800 0.92 PTGER2 (0.44) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25424668 0.92 PTGER2 (0.40) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25426994 0.89 PTGER2 (0.43) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25427950 0.88 ALDH1A1 (0.40) ALDH1A1TSHRHRH3
SCHEMBL30244877 0.87 QPCT (0.49) QPCTSLC2A4SLC2A8SLC2A1ALDH1A1
SCHEMBL25425923 0.86 PTGER2 (0.43) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL25426144 0.85 PTGER2 (0.44) PTGER2QPCTSLC2A4SLC2A8DGAT2
SCHEMBL30245289 0.84 MAPT (0.44) QPCTALDH1A1TSHRHRH3
SCHEMBL25426048 0.83 QPCT (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 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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