SCHEMBL30245366

SCHEMBL30245366

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2cccc(OCCOCCN3CCOCC3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 7/20 0.59
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DRD2 P14416 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ QPCTL Q9NXS2 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL25425366 1.00 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25426369 0.95 QPCT (0.63) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245055 0.95 QPCT (0.63) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245461 0.94 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25427668 0.94 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25426832 0.93 QPCT (0.58) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245411 0.93 QPCT (0.58) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245070 0.91 QPCT (0.60) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25425681 0.91 QPCT (0.56) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245258 0.91 QPCT (0.56) QPCTALDH1A1TSHRSMN1; SMN2NPSR1

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 7 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
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN 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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