SCHEMBL17338604

SCHEMBL17338604

CCc1ccc2[nH]cc(C(=O)NCC(=O)O)c(=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.62
GABRB2 P47870 4/20 0.62
POLB P06746 2/20 0.57
GABRB1 P18505 1/20 0.56
GABRA3 P34903 1/20 0.56

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
SCHEMBL17338616 0.88 GABRA1 (0.63) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338622 0.86 GABRA1 (0.65) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338596 0.85 GABRA1 (0.53) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338620 0.83 LMNA (0.61) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL396402 0.83 GABRA1 (0.73) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338628 0.81 GABRA1 (0.53) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338623 0.81 GABRA1 (0.52) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL11948567 0.80 GABRA1 (0.73) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338638 0.80 POLB (0.50) GABRA1GABRB2POLBGABRB1GABRA3
SCHEMBL17338647 0.79 CFTR (0.66) GABRA1GABRB2

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-3145914-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL Business PLC (GB) 2017-03-29 EP disclosed
WO-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 WO disclosed