SCHEMBL30245601

SCHEMBL30245601

COc1cccc(COCCOCc2cc(N(Cc3cccc(OC)c3)Cc3cccc(N4CCOCC4)c3)ccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.43
▸ FGFR1 P11362 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ QPCT Q16769 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ F10 P00742 1/20 0.38

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
SCHEMBL30244951 0.95 FGFR1 (0.40) AGXTFGFR1KDREPHB4PRKDC
SCHEMBL30245030 0.93 ALDH1A1 (0.43) AGXTFGFR1KDREPHB4MAPT
SCHEMBL29194670 0.93 ALDH1A1 (0.43) AGXTFGFR1KDREPHB4MAPT
SCHEMBL30245654 0.93 ALDH1A1 (0.44) AGXTFGFR1KDREPHB4MAPT
SCHEMBL29194594 0.93 ALDH1A1 (0.44) AGXTFGFR1KDREPHB4MAPT
SCHEMBL25254076 0.92 QPCT (0.41) AGXTQPCTMAPTNPC1KDM4E
SCHEMBL30245369 0.92 QPCT (0.41) AGXTQPCTMAPTNPC1KDM4E
SCHEMBL25297857 0.91 ALDH1A1 (0.41) AGXTMAPTNPC1ALDH1A1TSHR
SCHEMBL30245577 0.91 AGXT (0.44) AGXTQPCTMAPTNPC1KDM4E
SCHEMBL29194662 0.91 FGFR1 (0.42) AGXTFGFR1KDREPHB4PRKDC

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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