SCHEMBL7260725

SCHEMBL7260725

CC(C)(CCI)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.54
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9625482 0.85 CHRM2 (0.63) CHRM2ALDH1A1
SCHEMBL19228128 0.84 CHRM2 (0.55) CHRM2ALDH1A1
SCHEMBL14480981 0.83 CHRM2 (0.54) CHRM2ALDH1A1
SCHEMBL799700 0.80 CHRM2 (0.58) CHRM2ALDH1A1
SCHEMBL7286379 0.80 CHRM2 (0.53) CHRM2ALDH1A1
SCHEMBL27287813 0.79 CA12 (0.41) CHRM2ALDH1A1
SCHEMBL30841043 0.79 CA12 (0.41) CHRM2ALDH1A1
SCHEMBL2599276 0.79 CHRM2 (0.56) CHRM2ALDH1A1
SCHEMBL3727196 0.79 CHRM2 (0.56) CHRM2ALDH1A1
SCHEMBL5962347 0.77 CHRM2 (0.54) CHRM2ALDH1A1

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
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed