SCHEMBL30245465

SCHEMBL30245465

COc1cccc(COCCOCCOCc2cccc(N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.51
▸ IDO1 P14902 2/20 0.49
▸ AGXT P21549 2/20 0.49
▸ CETP P11597 2/20 0.47
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ MAOB P27338 5/20 0.43
▸ CALM1 P0DP23 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ TAAR1 Q96RJ0 3/20 0.42
▸ AOC3 Q16853 1/20 0.41

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
SCHEMBL30245403 0.99 QPCT (0.52) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL30245690 0.96 CETP (0.50) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL30245930 0.95 QPCT (0.47) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL30245041 0.94 QPCT (0.49) QPCTIDO1AGXTCETPMAOB
SCHEMBL30244988 0.93 QPCT (0.48) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL25045945 0.93 QPCT (0.54) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL30246005 0.93 QPCT (0.54) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL30245122 0.92 CETP (0.47) QPCTIDO1AGXTCETPMTNR1A
SCHEMBL30245472 0.90 QPCT (0.50) QPCTIDO1AGXTCETPMAOB
SCHEMBL30245212 0.89 ALDH1A1 (0.47) QPCTIDO1AGXTCETPMAOB

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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