SCHEMBL5015107

SCHEMBL5015107

[O]c1nc2c(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 0.44
DRD4 P21917 5/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MEN1 O00255 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
TDP1 Q9NUW8 2/20 0.36
RECQL P46063 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
SCHEMBL5015111 0.88 GNRHR (0.44) GNRHRSCDDRD4DRD2DRD3
SCHEMBL2096350 0.84 TTR (0.33) GNRHRSCDDRD2KDM4EALDH1A1
SCHEMBL5016131 0.84 ALDH1A1 (0.51) GNRHRDRD4DRD3KDM4EALDH1A1
SCHEMBL27666383 0.80 GNRHR (0.43) GNRHRSCDDRD4DRD2DRD3
SCHEMBL5013346 0.77 KDM4E (0.45) GNRHRDRD4DRD2DRD3KDM4E
SCHEMBL2093128 0.76 SCD (0.48) SCD
SCHEMBL5016197 0.75 DRD2 (0.43) GNRHRDRD4DRD2DRD3KDM4E
SCHEMBL5015079 0.73 DRD2 (0.41) DRD4DRD2DRD3NPSR1RAB9A
SCHEMBL5011693 0.72 ADRA1A (0.45) DRD2ALDH1A1HTR1AHTR2ATDP1
SCHEMBL2096352 0.72 TTR (0.33) GNRHRDRD2KDM4EALDH1A1HTR1A

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