SCHEMBL19856549

SCHEMBL19856549

COc1cccc(F)c1N(Cc1ccc(C(=O)O)cc1)C(=O)O[C@H]1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.58
CHRM2 P08172 17/20 0.58
CHRM1 P11229 17/20 0.58
CHRM5 P08912 3/20 0.53
CHRM4 P08173 2/20 0.52
PDE4B Q07343 2/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45

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
SCHEMBL19856625 0.92 CHRM3 (0.63) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856775 0.88 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856713 0.85 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL1925878 0.84 CHRM2 (0.74) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856762 0.84 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856546 0.83 CHRM2 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL20565727 0.83 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856764 0.83 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856825 0.81 CHRM3 (0.83) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856591 0.81 CHRM2 (0.61) 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 1 patent. 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