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Sugi Predict / Compounds / SCHEMBL20565725

SCHEMBL20565725

SCHEMBL20565725

O=C(O)c1ccc(CCCN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 17/20 0.64
▸ CHRM1 P11229 17/20 0.64
▸ CHRM3 P20309 17/20 0.64
▸ CHRM5 P08912 3/20 0.64
▸ CHRM4 P08173 2/20 0.64

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
SCHEMBL19856560 0.94 CHRM2 (0.68) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL17321570 0.90 CHRM3 (0.58) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856546 0.89 CHRM2 (0.64) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL20565477 0.89 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856591 0.86 CHRM2 (0.61) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL18908775 0.85 CHRM3 (0.56) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL15761801 0.85 CHRM3 (0.62) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL1924855 0.81 CHRM2 (0.74) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856631 0.81 CHRM3 (0.56) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL19856762 0.81 CHRM3 (0.60) CHRM2CHRM1CHRM3CHRM5CHRM4

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-3152202-B1 3,5-DICHLORO,4-(3,4-(CYCLO-)ALKOXYPHENYL)--2-CARBONYLOXY)ETHYL)PYRIDINE DERIVATIVES AS PDE-4 INHIBITORS AND MUSCARINIC M3 RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-11-28 — — EP claimed