SCHEMBL25258029

SCHEMBL25258029

COc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2ccnc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.45
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ELOVL1 Q9BW60 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ GFER P55789 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ CASP5 P51878 1/20 0.36

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
SCHEMBL30245213 1.00 HRH3 (0.45) HRH3MAPTHTTQPCTNPC1
SCHEMBL25251003 0.92 QPCT (0.39) HRH3MAPTQPCTNPC1ELOVL1
SCHEMBL30245196 0.91 QPCT (0.39) HRH3MAPTHTTQPCTNPC1
SCHEMBL25295796 0.91 QPCT (0.39) HRH3MAPTHTTQPCTNPC1
SCHEMBL30245324 0.90 HRH3 (0.50) HRH3MAPTHTTQPCTNPC1
SCHEMBL25250533 0.90 HRH3 (0.50) HRH3MAPTHTTQPCTNPC1
SCHEMBL30244877 0.89 QPCT (0.49) HRH3MAPTQPCTALDH1A1TSHR
SCHEMBL25295907 0.89 ALDH1A1 (0.42) HRH3MAPTNPC1KDM4ELTA4H
SCHEMBL30245019 0.89 ALDH1A1 (0.42) HRH3MAPTNPC1KDM4ELTA4H
SCHEMBL30245289 0.87 MAPT (0.44) HRH3MAPTQPCTKDM4EALDH1A1

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 1 patent. 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 claimed
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