SCHEMBL30245313

SCHEMBL30245313

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(OCCOCCOCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.46
▸ MAOB P27338 1/20 0.46
▸ QPCT Q16769 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ APP P05067 3/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CALM1 P0DP23 1/20 0.42
▸ CAMKK2 Q96RR4 1/20 0.42
▸ BCHE P06276 3/20 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
SCHEMBL25424604 1.00 CETP (0.46) CETPMAOBQPCTTSHRAPP
SCHEMBL30245285 0.95 QPCT (0.47) CETPMAOBQPCTAPPMTNR1A
SCHEMBL30245736 0.95 QPCT (0.47) CETPMAOBQPCTAPPMTNR1A
SCHEMBL25297747 0.95 QPCT (0.47) CETPMAOBQPCTAPPMTNR1A
SCHEMBL30245069 0.94 MAOB (0.51) CETPMAOBQPCTTSHRMTNR1A
SCHEMBL30245212 0.94 ALDH1A1 (0.47) CETPMAOBQPCTTSHRAPP
SCHEMBL30245122 0.93 CETP (0.47) CETPMAOBQPCTAPPMTNR1A
SCHEMBL30245259 0.93 APP (0.44) CETPMAOBQPCTTSHRAPP
SCHEMBL30245409 0.93 APP (0.47) CETPMAOBQPCTAPPALDH1A1
SCHEMBL30245653 0.92 ALDH1A1 (0.50) CETPMAOBQPCTTSHRAPP

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 4 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-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-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
Send feedback