SCHEMBL30245228

SCHEMBL30245228

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2ccc(COCCOCCOCc3ccccc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 2/20 0.44
▸ CAMKK2 Q96RR4 1/20 0.44
▸ QPCT Q16769 2/20 0.44
▸ CETP P11597 3/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ APP P05067 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CHRM3 P20309 4/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ BCHE P06276 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
SCHEMBL30245702 0.97 QPCT (0.45) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245848 0.95 QPCT (0.46) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245122 0.94 CETP (0.47) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245259 0.94 APP (0.44) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245640 0.93 QPCT (0.49) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245241 0.92 ALDH1A1 (0.46) CALM1QPCTCETPMAOBAPP
SCHEMBL30245409 0.91 APP (0.47) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245930 0.91 QPCT (0.47) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL25424604 0.90 CETP (0.46) CALM1CAMKK2QPCTCETPMAOB
SCHEMBL30245313 0.90 CETP (0.46) CALM1CAMKK2QPCTCETPMAOB

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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