SCHEMBL6002969

SCHEMBL6002969

CCC(C)Oc1cccc(-c2c[nH][c]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
WDR5 P61964 1/20 0.34
TP53 P04637 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAP4K4 O95819 1/20 0.34
PDE4B Q07343 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 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
SCHEMBL6002253 0.83 MAPT (0.36) MAPT
SCHEMBL4047980 0.81 DRD1 (0.44) MAPTSMN1; SMN2MAP4K4PDE4B
SCHEMBL1319008 0.79 SMN1; SMN2 (0.49) GAAMAPTSMN1; SMN2TP53MAOB
SCHEMBL6002382 0.75 ALDH1A1 (0.36) GAAHSD17B10MAPTSMN1; SMN2TP53
SCHEMBL11013203 0.74 RXRA (0.51) GPBAR1CYSLTR1GAAGABRA1GABRG2
SCHEMBL10965403 0.73 CYP1A2 (0.48) GPBAR1CYSLTR1GAAHSD17B10MAPT
SCHEMBL11665507 0.73 GPBAR1 (0.55) GPBAR1CYSLTR1GAAHSD17B10MAPT
SCHEMBL6002991 0.70 XDH (0.40) MAPTSMN1; SMN2ADORA1ADORA2APIM1
SCHEMBL4049981 0.69 KMO (0.40) MAOA
SCHEMBL2092088 0.68 GPBAR1 (0.48) GPBAR1CYSLTR1GAAHSD17B10MAPT

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed