SCHEMBL8312832

SCHEMBL8312832

Cc1c(N)cc(F)c2[nH]c(C(=O)OC(C)(C)C)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRA6 Q16445 2/20 0.33
GRM6 O15303 1/20 0.33
CACNA1B Q00975 2/20 0.33
CACNA1C Q13936 2/20 0.33
CACNA1H O95180 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CACNA1G O43497 1/20 0.32
PARP1 P09874 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL6950935 0.81 MET (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6954591 0.79 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6954525 0.78 HRH4 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6954527 0.75 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27535469 0.75 GRM6 (0.34) GRM6KDM4EALDH1A1HPGDHTT
SCHEMBL6950938 0.74 MET (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6954595 0.72 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28745064 0.68 MAPT (0.34) GRM6HTT
SCHEMBL6946818 0.65 HSP90AA1 (0.34)
SCHEMBL28231924 0.65 HCRTR1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3

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-0944603-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023595-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed