SCHEMBL27502016

SCHEMBL27502016

COc1cc(N)cc(CN2CCC(NC(=O)C(O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.81
CHRM1 P11229 20/20 0.81
CHRM3 P20309 20/20 0.81

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
SCHEMBL7469817 1.00 CHRM2 (0.81) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7468253 0.99 CHRM2 (0.80) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL27521567 0.99 CHRM2 (0.80) CHRM2CHRM1CHRM3
SCHEMBL7467498 0.92 CHRM2 (0.87) CHRM2CHRM1CHRM3
SCHEMBL27502783 0.92 CHRM2 (0.87) CHRM2CHRM1CHRM3
SCHEMBL7471350 0.90 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL28743657 0.90 CHRM2 (1.00) CHRM2CHRM1CHRM3
SCHEMBL27502017 0.90 CHRM2 (0.80) CHRM2CHRM1CHRM3
SCHEMBL7468827 0.90 CHRM2 (0.80) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7473463 0.89 CHRM2 (0.79) CHRM2CHRM1CHRM3

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
CN-1226888-A Fluorinated 1,4-disubstituted piperidine derivatives BANYU PHARMA CO LTD (JP) 1999-08-25 CN claimed