SCHEMBL30245693

SCHEMBL30245693

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.52
▸ CETP P11597 4/20 0.48
▸ APP P05067 1/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ CALM1 P0DP23 1/20 0.44
▸ CAMKK2 Q96RR4 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ BCHE P06276 4/20 0.42
▸ ACHE P22303 4/20 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
SCHEMBL30245310 0.99 QPCT (0.53) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30245653 0.95 ALDH1A1 (0.50) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30244968 0.94 QPCT (0.49) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL25297747 0.93 QPCT (0.47) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30245285 0.93 QPCT (0.47) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30245736 0.93 QPCT (0.47) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30245592 0.92 QPCT (0.50) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30245279 0.90 QPCT (0.47) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL25424604 0.90 CETP (0.46) QPCTCETPAPPMTNR1AMTNR1B
SCHEMBL30245313 0.90 CETP (0.46) QPCTCETPAPPMTNR1AMTNR1B

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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