SCHEMBL25965313

SCHEMBL25965313

c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccc8c(c7)oc7cccc(-c9ccccc9)c78)nc(-n7c8ccccc8c8ccccc87)n6)c5c43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
BACE1 P56817 1/20 0.31
HCRTR1 O43613 1/20 0.30
PTGER1 P34995 1/20 0.30
TP53 P04637 1/20 0.30
HPSE Q9Y251 1/20 0.30

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
SCHEMBL24390433 0.96 PDE10A (0.32) PDE10ABACE1HCRTR1PTGER1TP53
SCHEMBL24390355 0.96 PDE10A (0.32) PDE10ABACE1HCRTR1PTGER1TP53
SCHEMBL25964905 0.95 BACE1 (0.32) PDE10ABACE1HCRTR1PTGER1
SCHEMBL25965288 0.95 KDM4E (0.33) BACE1
SCHEMBL24078593 0.94 KDM4E (0.32) PDE10ABACE1TP53
SCHEMBL25965279 0.94 KDM4E (0.33) BACE1TP53
SCHEMBL24390324 0.93 PDE10A (0.32) PDE10ATP53HPSE
SCHEMBL24390280 0.91 BACE1 (0.31) BACE1HCRTR1
SCHEMBL22352422 0.91 KDM4E (0.33) BACE1
SCHEMBL25965855 0.91 MMP12 (0.34) PDE10AHCRTR1HPSE

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
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed