SCHEMBL30834080

SCHEMBL30834080

CC(C)c1cc(N2CCCC(c3cn(C)c4ccccc34)C2)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.50
HRH3 Q9Y5N1 5/20 0.50
DHFR P00374 1/20 0.39
FAAH O00519 1/20 0.38
HTR1B P28222 1/20 0.36
HTR2B P41595 1/20 0.36
GPR65 Q8IYL9 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
SCHEMBL27201255 1.00 HRH4 (0.50) HRH4HRH3DHFRFAAHHTR1B
SCHEMBL27201295 0.88 HRH4 (0.42) HRH4HRH3DHFRFAAH
SCHEMBL30885313 0.83 HRH4 (0.50) HRH4HRH3HTR1BHTR2BGPR65
SCHEMBL27201355 0.83 HRH4 (0.50) HRH4HRH3HTR1BHTR2BGPR65
SCHEMBL30834227 0.81 HRH3 (0.50) HRH4HRH3
SCHEMBL30885294 0.81 HRH4 (0.50) HRH4HRH3
SCHEMBL27201360 0.81 HRH4 (0.50) HRH4HRH3
SCHEMBL27201305 0.81 HRH3 (0.50) HRH4HRH3
SCHEMBL30885213 0.77 HRH3 (0.50) HRH4HRH3
SCHEMBL27201453 0.77 HRH3 (0.50) HRH4HRH3

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-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO claimed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO disclosed