SCHEMBL25251003

SCHEMBL25251003

COc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.39
▸ ELOVL1 Q9BW60 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ F2R P25116 2/20 0.38
▸ GFER P55789 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AGXT P21549 1/20 0.35
▸ ABCB1 P08183 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ MAOB P27338 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
SCHEMBL25258029 0.92 HRH3 (0.45) QPCTELOVL1MAPTNPC1GFER
SCHEMBL30245213 0.92 HRH3 (0.45) QPCTELOVL1MAPTNPC1GFER
SCHEMBL30245668 0.89 QPCT (0.47) QPCTMAPTABCB1CETPMAOB
SCHEMBL30245124 0.89 HRH3 (0.44) QPCTMAPTF2RGFERKDM4E
SCHEMBL25251045 0.89 HRH3 (0.44) QPCTMAPTF2RGFERKDM4E
SCHEMBL30245561 0.88 MAPT (0.40) QPCTMAPTKDM4EKITFLT3
SCHEMBL25295970 0.87 LTA4H (0.43) QPCTMAPTF2RGFERKDM4E
SCHEMBL25295907 0.86 ALDH1A1 (0.42) MAPTNPC1F2RKDM4EHRH3
SCHEMBL30245019 0.86 ALDH1A1 (0.42) MAPTNPC1F2RKDM4EHRH3
SCHEMBL25254076 0.86 QPCT (0.41) QPCTMAPTNPC1F2RGFER

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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