SCHEMBL6001476

SCHEMBL6001476

CN(c1ccc(Cl)cc1)C1CCN(c2ccc(O)cc2)CC1.CN(c1ccc(Cl)cc1)C1CCN(c2ccc(OC3CCCCO3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
FFAR1 O14842 1/20 0.35
NPY5R Q15761 1/20 0.34
ACACB O00763 1/20 0.34
LSS P48449 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AR P10275 1/20 0.33
CYP3A4 P08684 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
SLC18A3 Q16572 1/20 0.32
TNK2 Q07912 1/20 0.32
TP53 P04637 1/20 0.32
ME2 P23368 1/20 0.32
ME1 P48163 1/20 0.32
ME3 Q16798 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 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
SCHEMBL2090101 0.95 LSS (0.36) FFAR1NPY5RACACBLSSCRHBP
SCHEMBL6002658 0.90 LTA4H (0.40) FFAR1NPY5RACACBLSSCRHBP
SCHEMBL2090519 0.82 NPY5R (0.45) KCNH2NPY5RLSSALDH1A1CYP3A4
SCHEMBL29656929 0.75 ALDH1A1 (0.45) ALDH1A1SLC18A3TNK2MAPT
SCHEMBL13279762 0.74 CHRM4 (0.39)
SCHEMBL13281631 0.74 CHRM4 (0.47) KCNH2CYP3A4
SCHEMBL2098815 0.74 CHRM4 (0.47) KCNH2CYP3A4
SCHEMBL8663836 0.73 SLC6A4 (0.41) ALDH1A1TNK2
SCHEMBL15093765 0.73 MEN1 (0.43) NPY5RALDH1A1TNK2CA12CA2
SCHEMBL15093959 0.73 MEN1 (0.43) NPY5RALDH1A1TNK2CA12CA2

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