SCHEMBL19856930

SCHEMBL19856930

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccc2[nH]1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.39
RBP4 P02753 1/20 0.37
CNR2 P34972 1/20 0.34
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
PRMT5 O14744 1/20 0.32
KCNH2 Q12809 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
FPR2 P25090 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PLD2 O14939 1/20 0.30
PLD1 Q13393 1/20 0.30
PIK3CD O00329 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL19856960 0.81 PLA2G10 (0.38) CNR2KCNH2PIK3CD
SCHEMBL19856988 0.79 NOD2 (0.41) CNR2
SCHEMBL19856938 0.79 EIF4A3 (0.32)
SCHEMBL19857008 0.79 HRH4 (0.41) HRH4DRD3DRD2HRH3
SCHEMBL19856991 0.78 SLC6A7 (0.37) CNR2
SCHEMBL19856992 0.78 CCR2 (0.34) CNR2
SCHEMBL19856907 0.77 HCRTR1 (0.33) CNR2PIK3CD
SCHEMBL19856929 0.77 CCR2 (0.35) CNR2
SCHEMBL19856981 0.77 SIRT3 (0.38) CNR2DRD3DRD2
SCHEMBL19856941 0.77 TNF (0.37)

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-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed