SCHEMBL30245483

SCHEMBL30245483

COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)c2ccc(COCCOCCN3CCOCC3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ABCB1 P08183 7/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LTA4H P09960 1/20 0.39

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
SCHEMBL25298289 1.00 DRD2 (0.44) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL25258582 0.98 DRD2 (0.46) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL30245231 0.98 DRD2 (0.46) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL30245107 0.96 ALDH1A1 (0.45) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL30245445 0.96 KCNH2 (0.44) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL25298177 0.96 KCNH2 (0.44) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL25298985 0.95 ALDH1A1 (0.44) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL30245609 0.95 ALDH1A1 (0.44) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL30245058 0.95 ALDH1A1 (0.47) DRD2DRD4ALDH1A1TSHRSMN1; SMN2
SCHEMBL25291775 0.94 DRD2 (0.44) DRD2DRD4ALDH1A1TSHRSMN1; SMN2

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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