SCHEMBL2669375

SCHEMBL2669375

CBc1cnc(C(=O)OC(C)(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GABRG2 P18507 9/20 0.35
GABRB3 P28472 9/20 0.35
GABRA1 P14867 8/20 0.35
GABRA3 P34903 8/20 0.35
GABRA2 P47869 8/20 0.35
GABRA5 P31644 8/20 0.35
GABRA6 Q16445 6/20 0.35
GABRA4 P48169 5/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
HPGDS O60760 1/20 0.33
ATR Q13535 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL7159196 0.78 ALDH1A1 (0.37) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL642470 0.78 ALDH1A1 (0.37) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL5520484 0.75 ALDH1A1 (0.40) ALDH1A1GABRG2GABRB3GABRA1GABRA3
Hydrochloric Acid SCHEMBL27420852 0.73 ALDH1A1 (0.39) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL27956784 0.73 GPR119 (0.38) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL29470884 0.69 GABRA1 (0.37) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL29470886 0.69 GABRA1 (0.41) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL14854851 0.69 ALDH1A1 (0.34) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL17253142 0.68 DGAT1 (0.46) ALDH1A1TP53MAPTALOX15HSD17B10
SCHEMBL9951442 0.68 ATR (0.48) ATRCA12CA1CA9

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-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed