SCHEMBL25046128

SCHEMBL25046128

COc1cccc(COCc2ccc(N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 2/20 0.53
▸ IDO1 P14902 2/20 0.51
▸ AGXT P21549 2/20 0.51
▸ MAOB P27338 8/20 0.49
▸ CALM1 P0DP23 1/20 0.45
▸ CAMKK2 Q96RR4 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CETP P11597 1/20 0.44
▸ APP P05067 1/20 0.43
▸ AOC3 Q16853 1/20 0.43

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
SCHEMBL30245847 1.00 QPCT (0.53) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245045 0.94 QPCT (0.51) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245472 0.93 QPCT (0.50) QPCTIDO1AGXTMAOBCALM1
SCHEMBL25045945 0.90 QPCT (0.54) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30246005 0.90 QPCT (0.54) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245640 0.89 QPCT (0.49) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245848 0.87 QPCT (0.46) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245702 0.86 QPCT (0.45) QPCTIDO1AGXTMAOBCALM1
SCHEMBL30245953 0.85 MAOB (0.64) QPCTIDO1AGXTMAOB
SCHEMBL30855376 0.85 QPCT (0.55) QPCTIDO1AGXTMAOBCALM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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