SCHEMBL30245259

SCHEMBL30245259

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccc(OCCOCCOCc3ccccc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.44
▸ QPCT Q16769 1/20 0.43
▸ MAOB P27338 4/20 0.42
▸ CALM1 P0DP23 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CETP P11597 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ NOX1 Q9Y5S8 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
SCHEMBL30245228 0.94 CALM1 (0.44) APPQPCTMAOBCALM1CAMKK2
SCHEMBL30245462 0.94 QPCT (0.48) APPQPCTMAOBCALM1CAMKK2
SCHEMBL25424604 0.93 CETP (0.46) APPQPCTMAOBCALM1CAMKK2
SCHEMBL30245241 0.93 ALDH1A1 (0.46) APPQPCTMAOBCALM1TSHR
SCHEMBL30245313 0.93 CETP (0.46) APPQPCTMAOBCALM1CAMKK2
SCHEMBL30245409 0.92 APP (0.47) APPQPCTMAOBCALM1CAMKK2
SCHEMBL30245218 0.91 ALDH1A1 (0.48) APPQPCTMAOBTSHRCETP
SCHEMBL30245361 0.90 APP (0.48) APPQPCTMAOBCALM1CAMKK2
SCHEMBL30245122 0.90 CETP (0.47) APPQPCTMAOBCALM1CAMKK2
SCHEMBL30245702 0.90 QPCT (0.45) APPQPCTMAOBCALM1CAMKK2

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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