SCHEMBL30245241

SCHEMBL30245241

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccc(COCCOCCOc3cccc(OC)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ QPCT Q16769 2/20 0.44
▸ APP P05067 4/20 0.44
▸ MAOB P27338 5/20 0.43
▸ TSHR P16473 2/20 0.42
▸ CALM1 P0DP23 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CETP P11597 1/20 0.39

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
SCHEMBL30245409 0.97 APP (0.47) ALDH1A1QPCTAPPMAOBCALM1
SCHEMBL30245361 0.96 APP (0.48) ALDH1A1QPCTAPPMAOBCALM1
SCHEMBL30245212 0.94 ALDH1A1 (0.47) ALDH1A1QPCTAPPMAOBTSHR
SCHEMBL30245702 0.93 QPCT (0.45) QPCTAPPMAOBCALM1CETP
SCHEMBL30245268 0.93 QPCT (0.49) ALDH1A1QPCTAPPMAOBTSHR
SCHEMBL30245259 0.93 APP (0.44) ALDH1A1QPCTAPPMAOBTSHR
SCHEMBL30245218 0.92 ALDH1A1 (0.48) ALDH1A1QPCTAPPMAOBTSHR
SCHEMBL30245228 0.92 CALM1 (0.44) QPCTAPPMAOBCALM1CETP
SCHEMBL30245848 0.92 QPCT (0.46) QPCTAPPMAOBCALM1CETP
SCHEMBL25424604 0.92 CETP (0.46) ALDH1A1QPCTAPPMAOBTSHR

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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