SCHEMBL30245374

SCHEMBL30245374

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(COCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 2/20 0.39
▸ MAOB P27338 5/20 0.37
▸ CETP P11597 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SLC2A4 P14672 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ APP P05067 1/20 0.35
▸ SLC2A8 Q9NY64 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35

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
SCHEMBL29194653 0.97 QPCT (0.44) QPCTALDH1A1MAOBCETPSLC2A4
SCHEMBL30245328 0.97 QPCT (0.44) QPCTALDH1A1MAOBCETPSLC2A4
SCHEMBL30245115 0.96 QPCT (0.44) QPCTALDH1A1MAOBCETPSLC2A4
SCHEMBL25257199 0.94 QPCT (0.44) QPCTMAOBCETPSLC2A4SLC2A1
SCHEMBL30245569 0.94 QPCT (0.44) QPCTMAOBCETPSLC2A4SLC2A1
SCHEMBL30245746 0.94 QPCT (0.47) QPCTALDH1A1TSHRMAOBCETP
SCHEMBL30245398 0.93 QPCT (0.45) QPCTMAOBCETPSLC2A4SLC2A1
SCHEMBL29194595 0.93 QPCT (0.45) QPCTMAOBCETPSLC2A4SLC2A1
SCHEMBL30245489 0.92 QPCT (0.43) QPCTMAOBCETPPOLBHPGD
SCHEMBL30245212 0.89 ALDH1A1 (0.47) QPCTALDH1A1TSHRMAOBCETP

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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