SCHEMBL30245298

SCHEMBL30245298

COc1cccc(CN(Cc2cccc(OC)c2)c2ccnc(COCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.47
▸ MAOB P27338 1/20 0.44
▸ CETP P11597 1/20 0.42
▸ CALM1 P0DP23 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ ABCB1 P08183 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ BCHE P06276 4/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ SLC2A1 P11166 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ SLC2A4 P14672 1/20 0.37

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
SCHEMBL30245286 0.96 QPCT (0.49) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245001 0.94 QPCT (0.50) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245489 0.94 QPCT (0.43) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245746 0.91 QPCT (0.47) QPCTMAOBCETPABCB1HTR1A
SCHEMBL25257199 0.90 QPCT (0.44) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245569 0.90 QPCT (0.44) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL29194595 0.89 QPCT (0.45) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245398 0.89 QPCT (0.45) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245668 0.88 QPCT (0.47) QPCTMAOBCETPCALM1CAMKK2
SCHEMBL30245374 0.86 QPCT (0.43) QPCTMAOBCETPABCB1HTR1A

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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