SCHEMBL19856713

SCHEMBL19856713

COc1ccccc1N(Cc1ccc(C(=O)O)cc1)C(=O)O[C@H]1CN2CCC1CC2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.62
CHRM2 P08172 16/20 0.62
CHRM1 P11229 16/20 0.62
CHRM5 P08912 3/20 0.58
CHRM4 P08173 2/20 0.56
PDE4B Q07343 2/20 0.50

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
SCHEMBL15761740 0.92 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856763 0.90 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856705 0.89 CHRM2 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856630 0.88 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856661 0.88 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856640 0.87 CHRM2 (0.66) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856657 0.87 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856594 0.87 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856546 0.87 CHRM2 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL15776950 0.85 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM5CHRM4

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
EP-2928880-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 EP claimed
EP-2928880-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 EP disclosed