SCHEMBL25428277

SCHEMBL25428277

COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 2/20 0.40
▸ QPCT Q16769 2/20 0.38
▸ DGAT2 Q96PD7 1/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ CETP P11597 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CALM1 P0DP23 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL25424367 0.93 PTGER2 (0.41) PTGER2QPCTDGAT2SLC2A1MAOB
SCHEMBL25425923 0.91 PTGER2 (0.43) PTGER2QPCTDGAT2SLC2A1CETP
SCHEMBL25298286 0.89 PTGER2 (0.41) PTGER2QPCTDGAT2SLC2A1KDM4E
SCHEMBL30245668 0.88 QPCT (0.47) QPCTSLC2A1CETPMAOBCALM1
SCHEMBL25426048 0.86 QPCT (0.40) PTGER2QPCTDGAT2SLC2A1EGLN1
SCHEMBL25425996 0.86 QPCT (0.41) PTGER2QPCTDGAT2SLC2A1CETP
SCHEMBL25425531 0.86 QPCT (0.41) PTGER2QPCTDGAT2SLC2A1EGLN1
SCHEMBL25424668 0.86 PTGER2 (0.40) PTGER2QPCTDGAT2SLC2A1CETP
SCHEMBL25427950 0.85 ALDH1A1 (0.40) —
SCHEMBL30245561 0.85 MAPT (0.40) QPCTCETPKDM4EMAPK1

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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