SCHEMBL9568061

SCHEMBL9568061

O=C=C(C1CCc2[c]cccc2C1)N(c1ccccc1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.36
SLC18A3 Q16572 1/20 0.31
KCNA5 P22460 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
SCHEMBL9049514 0.78 PTGIR (0.36) PTGIRSLC18A3
SCHEMBL9051601 0.71 TRPM8 (0.32) PTGIRSLC18A3
SCHEMBL9568065 0.70 KCNA5 (0.30) KCNA5
SCHEMBL9049221 0.65 GAA (0.34) PTGIR
SCHEMBL9049217 0.65 GAA (0.34) PTGIR
SCHEMBL9567964 0.63 PTGIR (0.37) PTGIR
SCHEMBL9568068 0.62 PTGIR (0.36) PTGIR
SCHEMBL18438166 0.60 CYP3A4 (0.47) PTGIRKCNA5
SCHEMBL1648430 0.59 KCNA5 (0.47) PTGIRKCNA5
SCHEMBL7982484 0.59 HTT (0.49) PTGIRKCNA5

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-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed