SCHEMBL30245462

SCHEMBL30245462

COc1cccc(CN(Cc2cccc(OC)c2)c2ccc(OCCOCCOCc3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.48
▸ MAOB P27338 3/20 0.48
▸ BCHE P06276 2/20 0.45
▸ SLC2A1 P11166 1/20 0.44
▸ CALM1 P0DP23 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ APP P05067 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CETP P11597 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL30245259 0.94 APP (0.44) QPCTMAOBBCHESLC2A1CALM1
SCHEMBL30245640 0.93 QPCT (0.49) QPCTMAOBBCHECALM1CAMKK2
SCHEMBL30245268 0.92 QPCT (0.49) QPCTMAOBAPPTSHRALDH1A1
SCHEMBL30245069 0.91 MAOB (0.51) QPCTMAOBBCHECALM1CAMKK2
SCHEMBL30245331 0.90 QPCT (0.52) QPCTMAOBSLC2A1TSHRALDH1A1
SCHEMBL30245472 0.89 QPCT (0.50) QPCTMAOBCALM1CAMKK2CETP
SCHEMBL25295970 0.88 LTA4H (0.43) QPCTMAOBTSHRABCB1
SCHEMBL30245045 0.87 QPCT (0.51) QPCTMAOBCALM1CAMKK2CETP
SCHEMBL25424065 0.87 QPCT (0.67) QPCT
SCHEMBL30245690 0.86 CETP (0.50) QPCTMAOBBCHECALM1CAMKK2

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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