SCHEMBL30245690

SCHEMBL30245690

COc1cccc(CN(Cc2cccc(OC)c2)c2cccc(COCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.50
▸ QPCT Q16769 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ CALM1 P0DP23 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ AGXT P21549 2/20 0.46
▸ CHRM3 P20309 2/20 0.43
▸ NR3C1 P04150 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL30245465 0.96 QPCT (0.51) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245122 0.95 CETP (0.47) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245403 0.95 QPCT (0.52) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245069 0.91 MAOB (0.51) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245930 0.91 QPCT (0.47) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245640 0.91 QPCT (0.49) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245041 0.90 QPCT (0.49) CETPQPCTMAOBIDO1AGXT
SCHEMBL30244988 0.90 QPCT (0.48) CETPQPCTMAOBMTNR1AMTNR1B
SCHEMBL30245472 0.90 QPCT (0.50) CETPQPCTMAOBCALM1CAMKK2
SCHEMBL25045945 0.89 QPCT (0.54) CETPQPCTMAOBMTNR1AMTNR1B

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
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