SCHEMBL30245653

SCHEMBL30245653

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ QPCT Q16769 2/20 0.48
▸ TSHR P16473 2/20 0.46
▸ CETP P11597 3/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ APP P05067 1/20 0.42
▸ MAOB P27338 4/20 0.42
▸ CALM1 P0DP23 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 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
SCHEMBL30245693 0.95 QPCT (0.52) ALDH1A1QPCTCETPMAPK1MTNR1A
SCHEMBL30245212 0.94 ALDH1A1 (0.47) ALDH1A1QPCTTSHRCETPHRH3
SCHEMBL30245310 0.94 QPCT (0.53) ALDH1A1QPCTCETPMAPK1MTNR1A
SCHEMBL30245218 0.93 ALDH1A1 (0.48) ALDH1A1QPCTTSHRCETPHRH3
SCHEMBL25297747 0.93 QPCT (0.47) ALDH1A1QPCTCETPMTNR1AMTNR1B
SCHEMBL30245285 0.93 QPCT (0.47) ALDH1A1QPCTCETPMTNR1AMTNR1B
SCHEMBL30245736 0.93 QPCT (0.47) ALDH1A1QPCTCETPMTNR1AMTNR1B
SCHEMBL30245313 0.92 CETP (0.46) ALDH1A1QPCTTSHRCETPMTNR1A
SCHEMBL25424604 0.92 CETP (0.46) ALDH1A1QPCTTSHRCETPMTNR1A
SCHEMBL30245241 0.90 ALDH1A1 (0.46) ALDH1A1QPCTTSHRCETPHRH3

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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