SCHEMBL19894989

SCHEMBL19894989

O=C(NC(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1)OCc1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 17/20 0.68
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL8509190 0.91 CHRM3 (0.60) CHRM3CYP2D6
SCHEMBL8509192 0.91 CHRM3 (0.60) CHRM3CYP2D6
SCHEMBL8509191 0.91 CHRM3 (0.60) CHRM3CYP2D6
SCHEMBL19895028 0.86 CHRM3 (0.59) CHRM3CYP2D6
SCHEMBL16789091 0.85 CHRM3 (0.66) CHRM3
SCHEMBL19894968 0.85 CHRM3 (0.56) CHRM3CYP2D6
SCHEMBL12071824 0.85 CHRM3 (0.55) CHRM3CYP2D6
SCHEMBL15117624 0.85 CHRM3 (0.55) CHRM3CYP2D6
SCHEMBL19895012 0.85 CHRM3 (0.55) CHRM3CYP2D6
SCHEMBL15117537 0.85 CHRM3 (0.55) CHRM3CYP2D6

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-2928879-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-28 — — EP claimed
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