SCHEMBL6002734

SCHEMBL6002734

OC(CCCCC1CCCCCC1)c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
NAAA Q02083 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
BMP1 P13497 4/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL6003073 0.98 SIGMAR1 (0.39) SIGMAR1MAPTCYP1A2NAAAGPR84
SCHEMBL6003283 0.87 MAPT (0.30) MAPT
SCHEMBL6001510 0.84 IDO1 (0.37)
SCHEMBL2090496 0.84 SIGMAR1 (0.35) SIGMAR1MAPTCYP1A2NAAAGPR84
SCHEMBL2093530 0.82 SIGMAR1 (0.38) SIGMAR1MAPTCYP1A2NAAAGPR84
SCHEMBL2095854 0.82 SIGMAR1 (0.38) SIGMAR1MAPTCYP1A2NAAAGPR84
SCHEMBL4941600 0.72 GPR84 (0.34) MAPTCYP1A2GPR84
SCHEMBL10358404 0.70 SIGMAR1 (0.50) SIGMAR1MAPTCYP1A2
SCHEMBL30833259 0.69 SIGMAR1 (0.54) SIGMAR1MAPTCYP1A2NAAAGPR84
SCHEMBL9122326 0.68 SIGMAR1 (0.46) SIGMAR1MAPTCYP1A2GPR84

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