SCHEMBL6780313

SCHEMBL6780313

CCCC(=O)c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
HSD17B3 P37058 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL4483981 0.84
SCHEMBL6444738 0.82 KDM4E (0.35) ALDH1A1RECQLTDP1L3MBTL1
SCHEMBL1735246 0.81
SCHEMBL1736012 0.79 CAMK2A (0.32) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL4217404 0.78 CAMK2A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL14398795 0.78 MEN1 (0.35) ALDH1A1HPGDTSHRL3MBTL1PDE4A
SCHEMBL30979835 0.77 NPC1 (0.34)
SCHEMBL11107864 0.76
SCHEMBL7361344 0.76
SCHEMBL5163595 0.75 L3MBTL1 (0.35) HPGDTSHRRECQLSMN1; SMN2L3MBTL1

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
US-6713632-B1 Process for the preparation of imidazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-30 US disclosed
EP-1193258-A1 PROCESS FOR THE PREPARATION OF IMIDAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-04-03 EP disclosed