SCHEMBL25426422

SCHEMBL25426422

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2cccc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 13/20 0.67
▸ QPCTL Q9NXS2 3/20 0.42
▸ MMP12 P39900 1/20 0.41
▸ CETP P11597 1/20 0.40
▸ MAOB P27338 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
SCHEMBL30245768 1.00 QPCT (0.67) QPCTQPCTLMMP12CETPMAOB
SCHEMBL25426433 0.94 QPCT (0.74) QPCTQPCTLMMP12CETP
SCHEMBL30245421 0.94 QPCT (0.74) QPCTQPCTLMMP12CETP
SCHEMBL30245126 0.93 QPCT (0.67) QPCTQPCTLMMP12
SCHEMBL25424065 0.93 QPCT (0.67) QPCTQPCTLMMP12
SCHEMBL25427271 0.91 QPCT (0.65) QPCTQPCTLMMP12
SCHEMBL30245274 0.91 QPCT (0.65) QPCTQPCTLMMP12
SCHEMBL25425547 0.91 QPCT (0.65) QPCTQPCTLMMP12
SCHEMBL30245219 0.91 QPCT (0.65) QPCTQPCTLMMP12
SCHEMBL30244953 0.91 QPCT (0.75) 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 2 patents. 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 claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
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