SCHEMBL25425547

SCHEMBL25425547

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccc(COCCOc3cccc(N(C)C)c3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.65
▸ QPCTL Q9NXS2 3/20 0.41
▸ MMP12 P39900 1/20 0.40
▸ APP P05067 1/20 0.39
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL30245219 1.00 QPCT (0.65) QPCTQPCTLMMP12APPFLT3
SCHEMBL25427271 0.95 QPCT (0.65) QPCTQPCTLMMP12APP
SCHEMBL30245274 0.95 QPCT (0.65) QPCTQPCTLMMP12APP
SCHEMBL30245503 0.93 QPCT (0.70) QPCTQPCTLMMP12
SCHEMBL25427179 0.93 QPCT (0.70) QPCTQPCTLMMP12
SCHEMBL30245085 0.92 QPCT (0.74) QPCTQPCTLMMP12
SCHEMBL25426422 0.91 QPCT (0.67) QPCTQPCTLMMP12
SCHEMBL30245768 0.91 QPCT (0.67) QPCTQPCTLMMP12
SCHEMBL30244974 0.91 QPCT (0.75) QPCTQPCTLMMP12
SCHEMBL25424065 0.90 QPCT (0.67) QPCTQPCTLMMP12

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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