SCHEMBL7390481

SCHEMBL7390481

C=CCO[C@@H]1C[C@H]2[C@H](C(=O)OCC)[C@H]2[C@]1(N)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
GRM3 Q14832 4/20 0.38
ELANE P08246 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADAM17 P78536 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL7392780 0.90 GRM2 (0.46) GRM2GRM3ADORA3ADAM17FABP7
SCHEMBL7385604 0.73 CYP1A2 (0.40) ADORA3ADAM17MEN1KMT2AFABP7
SCHEMBL5095260 0.71 SLC6A3 (0.39) GRM2GRM3
SCHEMBL7392651 0.68 GRM2 (0.71) GRM2GRM3
SCHEMBL7317711 0.68 ADORA3 (0.37) ADORA3ADAM17MEN1KMT2AFABP7
SCHEMBL12415464 0.67 FABP7 (0.52) KMT2AFABP7FABP5
SCHEMBL20489039 0.66 FABP7 (0.43) MEN1KMT2AFABP7FABP5
SCHEMBL15447425 0.66 FABP7 (0.49) FABP7FABP5
SCHEMBL584437 0.66 FABP7 (0.49) FABP7FABP5
SCHEMBL20731925 0.66 GRM2 (0.42) GRM2GRM3MEN1KMT2AFABP7

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
US-6107342-A 2-amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivatives and a process for the preparation thereof HOFFMANN-LA ROCHE INC. (US) 2000-08-22 US disclosed