SCHEMBL30245489

SCHEMBL30245489

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(COCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.43
▸ CETP P11597 1/20 0.41
▸ MAOB P27338 1/20 0.39
▸ CALM1 P0DP23 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ ABCB1 P08183 3/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BCHE P06276 2/20 0.35
▸ APP P05067 1/20 0.35
▸ MMP13 P45452 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
SCHEMBL30245569 0.96 QPCT (0.44) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL25257199 0.96 QPCT (0.44) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL29194595 0.95 QPCT (0.45) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245398 0.95 QPCT (0.45) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245298 0.94 QPCT (0.47) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245374 0.92 QPCT (0.43) QPCTCETPMAOBABCB1HTR1A
SCHEMBL29194653 0.91 QPCT (0.44) QPCTCETPMAOBMTNR1AMTNR1B
SCHEMBL30245328 0.91 QPCT (0.44) QPCTCETPMAOBMTNR1AMTNR1B
SCHEMBL30245115 0.90 QPCT (0.44) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245286 0.90 QPCT (0.49) QPCTCETPMAOBCALM1CAMKK2

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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