SCHEMBL5015080

SCHEMBL5015080

Oc1nc2c(N3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)cccc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD4 P21917 6/20 0.41
DRD3 P35462 5/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL5015079 0.86 DRD2 (0.41) DRD2DRD4DRD3MEN1NPC1
SCHEMBL2097140 0.82 MAPT (0.38) MEN1KMT2AL3MBTL1KDM4EGAA
SCHEMBL5013348 0.79 KDM4E (0.45) DRD2DRD4DRD3MEN1NPC1
SCHEMBL28758331 0.78 DRD4 (0.45) DRD2DRD4DRD3MEN1NPC1
SCHEMBL5016133 0.77 KMT2A (0.51) DRD4DRD3MEN1NPC1RAB9A
SCHEMBL5013459 0.77 MEN1 (0.52) DRD2MEN1KMT2AALDH1A1
SCHEMBL2088110 0.76 HRH1 (0.37) RAB9AMAPTSMN1; SMN2
SCHEMBL5015111 0.73 GNRHR (0.44) DRD2DRD4DRD3MEN1NPC1
SCHEMBL27645184 0.69 DRD2 (0.48) DRD2DRD4DRD3MAPT
SCHEMBL2097137 0.69 MAPT (0.38) MEN1KMT2AL3MBTL1KDM4EGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed