SCHEMBL30245930

SCHEMBL30245930

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.47
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ CETP P11597 3/20 0.44
▸ CALM1 P0DP23 1/20 0.42
▸ CAMKK2 Q96RR4 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ MAOB P27338 3/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HSD17B2 P37059 1/20 0.39
▸ APP P05067 1/20 0.39
▸ TAAR1 Q96RJ0 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
SCHEMBL30244988 0.99 QPCT (0.48) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245122 0.96 CETP (0.47) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245465 0.95 QPCT (0.51) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245212 0.94 ALDH1A1 (0.47) QPCTIDO1AGXTCETPMAOB
SCHEMBL30245702 0.94 QPCT (0.45) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245403 0.94 QPCT (0.52) QPCTIDO1AGXTCETPCALM1
SCHEMBL25297747 0.93 QPCT (0.47) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245285 0.93 QPCT (0.47) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245736 0.93 QPCT (0.47) QPCTIDO1AGXTCETPCALM1
SCHEMBL30245848 0.93 QPCT (0.46) QPCTIDO1AGXTCETPCALM1

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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