SCHEMBL30245373

SCHEMBL30245373

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(OCCOCCN3CCOCC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ EPHX2 P34913 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.48
▸ KDM4E B2RXH2 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ LTA4H P09960 1/20 0.42
▸ ROCK2 O75116 1/20 0.41

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
SCHEMBL30245388 0.95 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL30245466 0.94 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL30245128 0.94 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL30245507 0.92 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL30245660 0.90 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL29194642 0.90 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL30245140 0.90 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL30245590 0.89 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3
SCHEMBL30245178 0.89 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL25263709 0.88 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2NPSR1HRH3

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