SCHEMBL30245174

SCHEMBL30245174

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccnc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.42
▸ CETP P11597 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ CALM1 P0DP23 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ MMP13 P45452 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ APP P05067 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 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
SCHEMBL30245668 0.94 QPCT (0.47) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245420 0.91 QPCT (0.44) QPCTCETPMAOBTSHRPOLB
SCHEMBL30245489 0.90 QPCT (0.43) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245279 0.88 QPCT (0.47) QPCTCETPCALM1CAMKK2MTNR1A
SCHEMBL29194586 0.88 QPCT (0.47) QPCTCETPCALM1CAMKK2MTNR1A
SCHEMBL25424604 0.88 CETP (0.46) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245313 0.88 CETP (0.46) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245122 0.88 CETP (0.47) QPCTCETPMAOBCALM1CAMKK2
SCHEMBL30245488 0.87 QPCT (0.47) QPCTCETPCALM1CAMKK2MTNR1A
SCHEMBL25263731 0.86 ALDH1A1 (0.43) TSHRALDH1A1

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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