SCHEMBL30245891

SCHEMBL30245891

COc1cccc(CN(Cc2ccc(N3CCCC3)cc2)c2ccc(COCCOc3cccc(N(C)C)c3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ APP P05067 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ QPCT Q16769 2/20 0.38
▸ KIT P10721 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ QSOX1 O00391 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL30244966 0.95 HRH3 (0.40) HRH3LTA4HAPPQPCTKIT
SCHEMBL25251894 0.95 CETP (0.40) HRH3CNR1CNR2LTA4HAPP
SCHEMBL30245109 0.95 CETP (0.40) HRH3CNR1CNR2LTA4HAPP
SCHEMBL25250353 0.95 HRH3 (0.40) HRH3LTA4HAPPQPCTKIT
SCHEMBL30245496 0.94 KIT (0.43) HRH3APPCETPQPCTKIT
SCHEMBL25262893 0.94 KIT (0.43) HRH3APPCETPQPCTKIT
SCHEMBL30245173 0.93 MAPT (0.41) APPCETPQPCTKITMAPT
SCHEMBL25251322 0.90 CNR1 (0.42) HRH3CNR1CNR2LTA4HCETP
SCHEMBL30245453 0.90 CNR1 (0.42) HRH3CNR1CNR2LTA4HCETP
SCHEMBL30244897 0.89 MAPT (0.40) APPQPCTKITMAPTHTT

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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