SCHEMBL19894853

SCHEMBL19894853

O=C(O)c1cccc(C(=O)NC(C(=O)OC2CN3CCC2CC3)c2cccc(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 14/20 0.51
▸ CHRM2 P08172 3/20 0.45
▸ CHRM1 P11229 3/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL19894785 0.92 CHRM3 (0.49) CHRM3CHRM2CHRM1CYP2D6TSHR
SCHEMBL19894968 0.91 CHRM3 (0.56) CHRM3CHRM2CHRM1CYP2D6TSHR
SCHEMBL19894878 0.89 CHRM3 (0.48) CHRM3CHRM2CHRM1CYP2D6TSHR
SCHEMBL19894894 0.87 CHRM3 (0.55) CHRM3
SCHEMBL19894874 0.85 CHRM3 (0.48) CHRM3CHRM2CHRM1CYP2D6TSHR
SCHEMBL19894957 0.85 CHRM3 (0.49) CHRM3CHRM2CHRM1CYP2D6TSHR
SCHEMBL19894858 0.85 CHRM3 (0.53) CHRM3CHRM2CHRM1CYP2D6
SCHEMBL19894811 0.84 CHRM3 (0.50) CHRM3CHRM2CHRM1CYP2D6
SCHEMBL19894997 0.84 CHRM3 (0.52) CHRM3CHRM2CHRM1CYP2D6TSHR
SCHEMBL8509482 0.83 CHRM3 (0.62) CHRM3CHRM2CHRM1CYP2D6

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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