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SCHEMBL25964905

SCHEMBL25964905

c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccc8c(c7)oc7cccc(-c9ccccc9)c78)n6)c5c43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PTGER4 P35408 1/20 0.30
▸ PTGER1 P34995 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
SCHEMBL24390355 0.97 PDE10A (0.32) BACE1PDE10AHCRTR1PTGER1
SCHEMBL24390433 0.97 PDE10A (0.32) BACE1PDE10AHCRTR1PTGER1
SCHEMBL25965313 0.95 PDE10A (0.32) BACE1PDE10AHCRTR1PTGER1
SCHEMBL24078536 0.95 BACE1 (0.33) BACE1HCRTR1PTGER4
SCHEMBL24390324 0.94 PDE10A (0.32) PDE10A
SCHEMBL24078593 0.94 KDM4E (0.32) BACE1PDE10A
SCHEMBL25965279 0.93 KDM4E (0.33) BACE1
SCHEMBL24390473 0.93 PLA2G2A (0.32) BACE1PDE10APTGER1
SCHEMBL24390352 0.93 PLA2G2A (0.32) BACE1PDE10APTGER1
SCHEMBL24390280 0.93 BACE1 (0.31) BACE1HCRTR1

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