SCHEMBL9568068

SCHEMBL9568068

CN(CCC1CCc2[c]cccc2C1)NC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.36
MCHR1 Q99705 3/20 0.32
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PKM P14618 1/20 0.31
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL9567964 0.90 PTGIR (0.37) PTGIRMCHR1CHRM4CHRM5CHRM1
SCHEMBL9049789 0.78 PTGIR (0.41) PTGIRACHE
SCHEMBL9049791 0.78 PTGIR (0.64) PTGIR
SCHEMBL9049221 0.71 GAA (0.34) PTGIRCHRM4CHRM5CHRM1CHRM3
SCHEMBL9049217 0.71 GAA (0.34) PTGIRCHRM4CHRM5CHRM1CHRM3
SCHEMBL8858496 0.68 PTGIR (0.66) PTGIR
SCHEMBL9048748 0.65 PTGIR (0.49) PTGIRCHRM1CHRM3ACHE
SCHEMBL9567954 0.65 MTNR1A (0.34) KMT2A
SCHEMBL9568058 0.63 NPY1R (0.42) PTGIR
SCHEMBL9568081 0.63 PTGIR (0.41) PTGIRMCHR1

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