SCHEMBL30245736

SCHEMBL30245736

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.47
▸ CETP P11597 3/20 0.43
▸ APP P05067 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAOB P27338 5/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ CALM1 P0DP23 1/20 0.39
▸ CAMKK2 Q96RR4 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
SCHEMBL30245285 1.00 QPCT (0.47) QPCTCETPAPPALDH1A1MAOB
SCHEMBL25297747 1.00 QPCT (0.47) QPCTCETPAPPALDH1A1MAOB
SCHEMBL30245212 0.97 ALDH1A1 (0.47) QPCTCETPAPPALDH1A1MAOB
SCHEMBL30245313 0.95 CETP (0.46) QPCTCETPAPPALDH1A1MAOB
SCHEMBL25424604 0.95 CETP (0.46) QPCTCETPAPPALDH1A1MAOB
SCHEMBL30244988 0.94 QPCT (0.48) QPCTCETPAPPMAOBMTNR1A
SCHEMBL30245409 0.93 APP (0.47) QPCTCETPAPPALDH1A1MAOB
SCHEMBL30245653 0.93 ALDH1A1 (0.50) QPCTCETPAPPALDH1A1MAOB
SCHEMBL30245930 0.93 QPCT (0.47) QPCTCETPAPPMAOBMTNR1A
SCHEMBL30245693 0.93 QPCT (0.52) QPCTCETPAPPALDH1A1MAOB

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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