SCHEMBL28780552

SCHEMBL28780552

NN1CCC(=O)C(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
F2R P25116 1/20 0.34
MCL1 Q07820 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL7033589 0.76 ITGB3 (0.37) ITGB3ITGA2BF2R
SCHEMBL183476 0.76 ITGB3 (0.42) ITGB3ITGA2BF2RMCL1
Hydrochloric Acid SCHEMBL2236019 0.74 ITGB3 (0.36) ITGB3ITGA2BF2R
SCHEMBL23002177 0.72 ITGB3 (0.35) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL442313 0.71 CYP3A4 (0.35) ITGB3ITGA2BF2R
SCHEMBL2447521 0.69 ITGB3 (0.46) ITGB3ITGA2BF2R
SCHEMBL4791077 0.69 ITGB3 (0.41) ITGB3ITGA2BF2R
SCHEMBL7425201 0.69 SMN1; SMN2 (0.39)
SCHEMBL13654288 0.68
SCHEMBL8117648 0.67 HPGD (0.49) MCL1

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
CN-101450938-B 7-(4-oximido-3-amido-3-alkyl-1-piperidine)quinoline carboxylic acid derivates and preparation method thereof INST MEDICINAL BIOTECHNOLOGY 2012-11-14 CN disclosed
CN-101450938-A 7-(4-oximido-3-amido-3-alkyl-1-piperidine)quinoline carboxylic acid derivates and preparation method thereof MEDICINE AND BIOENGINEERING IN (CN) 2009-06-10 CN disclosed