SCHEMBL30245702

SCHEMBL30245702

COc1cccc(COCCOCCOCc2ccc(N(Cc3cccc(OC)c3)Cc3cccc(N(C)C)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.45
▸ IDO1 P14902 2/20 0.42
▸ AGXT P21549 2/20 0.42
▸ APP P05067 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ CALM1 P0DP23 3/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ CETP P11597 3/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL30245848 0.99 QPCT (0.46) QPCTIDO1AGXTAPPMAOB
SCHEMBL30245228 0.97 CALM1 (0.44) QPCTAPPMAOBCALM1CAMKK2
SCHEMBL30245930 0.94 QPCT (0.47) QPCTIDO1AGXTAPPMAOB
SCHEMBL30245241 0.93 ALDH1A1 (0.46) QPCTAPPMAOBCALM1CETP
SCHEMBL30245122 0.93 CETP (0.47) QPCTIDO1AGXTAPPMAOB
SCHEMBL30244988 0.93 QPCT (0.48) QPCTIDO1AGXTAPPMAOB
SCHEMBL30245472 0.93 QPCT (0.50) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245409 0.92 APP (0.47) QPCTAPPMAOBCALM1CAMKK2
SCHEMBL30245045 0.92 QPCT (0.51) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245361 0.91 APP (0.48) QPCTAPPMAOBCALM1CAMKK2

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