SCHEMBL19856623

SCHEMBL19856623

O=C(O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cc(O)ccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.56
CHRM2 P08172 16/20 0.56
CHRM1 P11229 16/20 0.56
CHRM5 P08912 3/20 0.46
CHRM4 P08173 2/20 0.46
PDE4B Q07343 2/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL19856555 0.89 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856632 0.89 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856594 0.88 CHRM3 (0.64) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856609 0.83 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856552 0.83 CHRM3 (0.69) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856640 0.83 CHRM2 (0.66) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856629 0.81 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856580 0.80 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856725 0.80 CHRM3 (0.62) CHRM3CHRM2CHRM1CHRM5CHRM4
SCHEMBL19856658 0.80 CHRM2 (0.85) 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