SCHEMBL5015111

SCHEMBL5015111

Oc1nc2c(N3CCN(Cc4ccccc4C(F)(F)C(F)(F)F)CC3)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.44
SCD O00767 1/20 0.42
DRD4 P21917 6/20 0.39
DRD2 P14416 6/20 0.39
DRD3 P35462 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.38
GRM2 Q14416 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 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
SCHEMBL5015107 0.88 GNRHR (0.44) GNRHRSCDDRD4DRD2DRD3
SCHEMBL2096352 0.84 TTR (0.33) GNRHRDRD2KDM4EALDH1A1HTR1A
SCHEMBL5016133 0.84 KMT2A (0.51) GNRHRDRD4DRD3KDM4EALDH1A1
SCHEMBL27666383 0.80 GNRHR (0.43) GNRHRSCDDRD4DRD2DRD3
SCHEMBL5013348 0.77 KDM4E (0.45) GNRHRDRD4DRD2DRD3KDM4E
SCHEMBL2093133 0.76 SCD (0.48) SCD
SCHEMBL5015080 0.73 DRD2 (0.41) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL5013459 0.73 MEN1 (0.52) DRD2ALDH1A1MEN1KMT2AHTR1A
SCHEMBL2096350 0.72 TTR (0.33) GNRHRSCDDRD2KDM4EALDH1A1
SCHEMBL5543386 0.72 DRD4 (0.56) DRD4DRD2DRD3KDM4EALDH1A1

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