SCHEMBL30245496

SCHEMBL30245496

COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)c2ccc(COCCOc3cccc(N(C)C)c3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.43
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ VNN1 O95497 1/20 0.40
▸ CETP P11597 1/20 0.39
▸ APP P05067 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL25262893 1.00 KIT (0.43) KITUSP2MAPTMAPK1KMT2A
SCHEMBL25259271 0.95 KIT (0.42) KITUSP2MAPTMAPK1KMT2A
SCHEMBL30246077 0.95 KIT (0.42) KITUSP2MAPTMAPK1KMT2A
SCHEMBL30245698 0.95 KIT (0.41) KITUSP2MAPTMAPK1KMT2A
SCHEMBL25261840 0.95 KIT (0.41) KITUSP2MAPTMAPK1KMT2A
SCHEMBL30245891 0.94 HRH3 (0.40) KITMAPTMAPK1KMT2ACETP
SCHEMBL25423576 0.93 ALDH1A1 (0.44) KITDRD2DRD4ABCB1HRH3
SCHEMBL30245173 0.92 MAPT (0.41) KITMAPTMAPK1KMT2ACETP
SCHEMBL25292302 0.90 DRD2 (0.44) KITUSP2MAPTMAPK1KMT2A
SCHEMBL30245117 0.90 DRD2 (0.44) KITUSP2MAPTMAPK1KMT2A

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
Send feedback