SCHEMBL9050993

SCHEMBL9050993

CN(CC1CCc2c(cccc2C(=O)C(=O)O)C1)C(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.39
MCHR1 Q99705 4/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL9049469 0.90 PTGIR (0.38) PTGIRACHE
SCHEMBL9047644 0.88 PTGIR (0.36) PTGIR
SCHEMBL9050737 0.86 NPSR1 (0.37) PTGIR
SCHEMBL9047704 0.82 DRD2 (0.37) PTGIR
SCHEMBL8858528 0.81 PTGIR (0.61) PTGIR
SCHEMBL9047459 0.81 PTGIR (0.44) PTGIRCA1CA2ACHE
SCHEMBL9047450 0.81 PTGIR (0.46) PTGIRCA1CA2ACHE
SCHEMBL9049412 0.78 ALDH1A1 (0.39) PTGIRMCHR1CA1CA2ACHE
SCHEMBL9048870 0.77 ALDH1A1 (0.40) PTGIRMCHR1
SCHEMBL9050455 0.75 DRD2 (0.39)

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed