SCHEMBL19894968

SCHEMBL19894968

O=C(O)c1cccc(C(=O)NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 11/20 0.56
▸ CYP2D6 P10635 1/20 0.51
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRNA7 P36544 2/20 0.48
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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) CHRM3CYP2D6CHRM2CHRM1CHRNA7
SCHEMBL8509480 0.92 CHRM3 (0.62) CHRM3CYP2D6CHRM2CHRM1CHRNA7
SCHEMBL8509482 0.92 CHRM3 (0.62) CHRM3CYP2D6CHRM2CHRM1CHRNA7
SCHEMBL19894853 0.91 CHRM3 (0.51) CHRM3CYP2D6CHRM2CHRM1TSHR
SCHEMBL19894811 0.91 CHRM3 (0.50) CHRM3CYP2D6CHRM2CHRM1
SCHEMBL19894894 0.90 CHRM3 (0.55) CHRM3
SCHEMBL15117624 0.88 CHRM3 (0.55) CHRM3CYP2D6CHRM2CHRM1CHRNA7
SCHEMBL15117537 0.88 CHRM3 (0.55) CHRM3CYP2D6CHRM2CHRM1CHRNA7
SCHEMBL12071824 0.88 CHRM3 (0.55) CHRM3CYP2D6CHRM2CHRM1CHRNA7
SCHEMBL19895012 0.88 CHRM3 (0.55) CHRM3CYP2D6CHRM2CHRM1CHRNA7

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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