SCHEMBL9468567

SCHEMBL9468567

CCc1nn(CC)c(CO)c1Cc1ccc2c(-c3ccccc3C(=O)OC(C)(C)C)oc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.37
ACHE P22303 1/20 0.32

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
SCHEMBL9468043 0.90 PTGDR2 (0.36) PTGDR2
SCHEMBL9468626 0.90 PTGDR2 (0.33) PTGDR2ACHE
SCHEMBL9468519 0.90 PTGDR2 (0.36) PTGDR2
SCHEMBL9706707 0.89 PTGDR2 (0.42) PTGDR2
SCHEMBL9468523 0.89 PTGDR2 (0.33) PTGDR2ACHE
SCHEMBL9468038 0.81 PTGDR2 (0.36) PTGDR2
SCHEMBL9467181 0.81 AGTR1 (0.39)
SCHEMBL9468571 0.80
SCHEMBL9468521 0.79 AGTR1 (0.33)
SCHEMBL9706701 0.79 PTGDR2 (0.41) PTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed