SCHEMBL25250533

SCHEMBL25250533

COc1cccc(CN(Cc2cccc(N3CCCC3)c2)c2cccc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.50
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ QPCT Q16769 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CETP P11597 1/20 0.40
▸ ADRB1 P08588 1/20 0.40

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
SCHEMBL30245324 1.00 HRH3 (0.50) HRH3MAPTHTTQPCTKDM4E
SCHEMBL25251045 0.93 HRH3 (0.44) HRH3MAPTHTTQPCTKDM4E
SCHEMBL30245124 0.93 HRH3 (0.44) HRH3MAPTHTTQPCTKDM4E
SCHEMBL30244917 0.93 HRH3 (0.49) HRH3MAPTHTTQPCTKDM4E
SCHEMBL25253058 0.93 HRH3 (0.49) HRH3MAPTHTTQPCTKDM4E
SCHEMBL25252797 0.92 QPCT (0.43) HRH3MAPTHTTQPCTKDM4E
SCHEMBL30245662 0.92 QPCT (0.43) HRH3MAPTHTTQPCTKDM4E
SCHEMBL25258029 0.90 HRH3 (0.45) HRH3MAPTHTTQPCTKDM4E
SCHEMBL30245213 0.90 HRH3 (0.45) HRH3MAPTHTTQPCTKDM4E
SCHEMBL25257585 0.90 HRH3 (0.40) HRH3MAPTHTTQPCTKDM4E

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 claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
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