SCHEMBL30245409

SCHEMBL30245409

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccc(COCCOc3cccc(N(C)C)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.47
▸ QPCT Q16769 2/20 0.45
▸ MAOB P27338 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CETP P11597 3/20 0.40
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CALM1 P0DP23 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38

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
SCHEMBL30245361 0.99 APP (0.48) APPQPCTMAOBALDH1A1CETP
SCHEMBL30245241 0.97 ALDH1A1 (0.46) APPQPCTMAOBALDH1A1CETP
SCHEMBL30245285 0.93 QPCT (0.47) APPQPCTMAOBALDH1A1CETP
SCHEMBL25297747 0.93 QPCT (0.47) APPQPCTMAOBALDH1A1CETP
SCHEMBL30245736 0.93 QPCT (0.47) APPQPCTMAOBALDH1A1CETP
SCHEMBL30245848 0.93 QPCT (0.46) APPQPCTMAOBCETPCALM1
SCHEMBL30245313 0.93 CETP (0.46) APPQPCTMAOBALDH1A1CETP
SCHEMBL25424604 0.93 CETP (0.46) APPQPCTMAOBALDH1A1CETP
SCHEMBL30245702 0.92 QPCT (0.45) APPQPCTMAOBCETPCALM1
SCHEMBL30245259 0.92 APP (0.44) APPQPCTMAOBALDH1A1CETP

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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