SCHEMBL3902186

SCHEMBL3902186

CNC(=O)O[C@H]1CC[C@@](CNC(=O)c2ccccc2OC)(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 19/20 1.00
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
KMT2A Q03164 1/20 0.71

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
SCHEMBL3902190 1.00 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3895470 0.91 KCNA3 (0.84) KCNA3
SCHEMBL3895286 0.91 KCNA3 (0.87) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3895291 0.91 KCNA3 (0.87) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3900106 0.90 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3904054 0.90 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3894769 0.90 KCNA3 (0.84) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3893625 0.90 KCNA3 (1.00) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3895316 0.89 KCNA3 (0.82) KCNA3MEN1ALDH1A1KMT2A
SCHEMBL3895307 0.89 KCNA3 (0.82) KCNA3MEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143965-B1 CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
EP-1368020-B1 METHOD FOR IDENTIFYING MAXI-K CHANNEL BLOCKERS MERCK & CO INC (US) 2008-03-05 EP claimed