SCHEMBL30245258

SCHEMBL30245258

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccnc(OCCOCCN3CCOCC3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 8/20 0.56
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 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
SCHEMBL25425681 1.00 QPCT (0.56) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL29194470 0.95 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245386 0.95 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245366 0.91 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25425366 0.91 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25424733 0.91 QPCT (0.55) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30244832 0.91 QPCT (0.55) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245014 0.90 ALDH1A1 (0.48) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25427668 0.89 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245461 0.89 QPCT (0.59) 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 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
Send feedback