SCHEMBL30245115

SCHEMBL30245115

COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.44
▸ CETP P11597 3/20 0.40
▸ APP P05067 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ SLC2A1 P11166 4/20 0.37
▸ SLC2A4 P14672 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ SLC2A8 Q9NY64 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ CALM1 P0DP23 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35

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
SCHEMBL30245328 0.99 QPCT (0.44) QPCTCETPAPPALDH1A1MTNR1A
SCHEMBL29194653 0.99 QPCT (0.44) QPCTCETPAPPALDH1A1MTNR1A
SCHEMBL30245374 0.96 QPCT (0.43) QPCTCETPAPPALDH1A1SLC2A1
SCHEMBL29194595 0.93 QPCT (0.45) QPCTCETPMTNR1AMTNR1BSLC2A1
SCHEMBL30245398 0.93 QPCT (0.45) QPCTCETPMTNR1AMTNR1BSLC2A1
SCHEMBL25257199 0.92 QPCT (0.44) QPCTCETPMTNR1AMTNR1BSLC2A1
SCHEMBL30245569 0.92 QPCT (0.44) QPCTCETPMTNR1AMTNR1BSLC2A1
SCHEMBL30245746 0.92 QPCT (0.47) QPCTCETPALDH1A1SLC2A1SLC2A4
SCHEMBL29194472 0.91 NOS1 (0.42) QPCTCETPAPPALDH1A1POLB
SCHEMBL30245489 0.90 QPCT (0.43) QPCTCETPAPPMTNR1AMTNR1B

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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