SCHEMBL23205103

SCHEMBL23205103

Cc1ccnc(OC2CC(OC3CCN(CC4CCN(C)CC4)CC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIK3CD O00329 2/20 0.36
KCNH2 Q12809 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
PIK3CA P42336 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL23205104 1.00 TLR9 (0.38) TLR9TLR8TLR7PIK3CDKCNH2
SCHEMBL26157155 0.91 TLR9 (0.41) TLR9TLR8TLR7PIK3CDKCNH2
SCHEMBL26157172 0.88 TLR9 (0.35) TLR9TLR8TLR7HCRTR1HCRTR2
SCHEMBL26157171 0.88 TLR9 (0.35) TLR9TLR8TLR7HCRTR1HCRTR2
SCHEMBL26157127 0.84 HRH3 (0.39) HCRTR1HCRTR2LOXLOXL2
SCHEMBL26157126 0.84 HRH3 (0.39) HCRTR1HCRTR2LOXLOXL2
SCHEMBL26157284 0.84 HCRTR1 (0.39) TLR9TLR8TLR7KCNH2HCRTR1
SCHEMBL24838010 0.81 TLR9 (0.36) TLR9TLR8TLR7HCRTR1HCRTR2
SCHEMBL26157195 0.81 HCRTR1 (0.38) PIK3CDHCRTR1HCRTR2LRRK2LOX
SCHEMBL427767 0.80 LRRK2 (0.48) PIK3CDHCRTR1HCRTR2LRRK2LOX

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-2023096987-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed