SCHEMBL30245286

SCHEMBL30245286

COc1cccc(COCCOCCOCc2cc(N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.49
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ SLC2A4 P14672 1/20 0.41
▸ MAOB P27338 7/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CALM1 P0DP23 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL30245001 0.99 QPCT (0.50) QPCTMAPTHTTSMN1; SMN2IDO1
SCHEMBL30245298 0.96 QPCT (0.47) QPCTMAPTHTTSMN1; SMN2SLC2A1
SCHEMBL25257199 0.94 QPCT (0.44) QPCTMAPTHTTSMN1; SMN2IDO1
SCHEMBL30245569 0.94 QPCT (0.44) QPCTMAPTHTTSMN1; SMN2IDO1
SCHEMBL30245746 0.93 QPCT (0.47) QPCTMAPTHTTSMN1; SMN2SLC2A1
SCHEMBL30245398 0.93 QPCT (0.45) QPCTMAPTHTTSMN1; SMN2IDO1
SCHEMBL29194595 0.93 QPCT (0.45) QPCTMAPTHTTSMN1; SMN2IDO1
SCHEMBL30245489 0.90 QPCT (0.43) QPCTMAPTHTTSMN1; SMN2MAOB
SCHEMBL29194495 0.88 QPCT (0.44) QPCTMAPTHTTSMN1; SMN2SLC2A1
SCHEMBL30245374 0.88 QPCT (0.43) QPCTSLC2A1SLC2A4MAOBABCB1

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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