SCHEMBL25426832

SCHEMBL25426832

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2cccc(COCCOCCN3CCOCC3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 9/20 0.58
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ QPCTL Q9NXS2 1/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 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
SCHEMBL30245411 1.00 QPCT (0.58) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245070 0.98 QPCT (0.60) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245004 0.95 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25426289 0.95 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245366 0.93 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25425366 0.93 QPCT (0.59) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25425574 0.93 QPCT (0.61) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30244957 0.93 QPCT (0.61) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL25424733 0.91 QPCT (0.55) QPCTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30244832 0.91 QPCT (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
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