SCHEMBL19856960

SCHEMBL19856960

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 6/20 0.38
PIK3CD O00329 1/20 0.35
CNR2 P34972 2/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
CCR2 P41597 2/20 0.33
F10 P00742 1/20 0.33
GRM2 Q14416 1/20 0.33
HSD11B1 P28845 1/20 0.33
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCL1 Q07820 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
SCHEMBL19856991 0.94 SLC6A7 (0.37) PLA2G10CNR2NOD2NOD1
SCHEMBL19856988 0.94 NOD2 (0.41) PLA2G10CNR2NOD2NOD1
SCHEMBL19856905 0.92 BTK (0.38) PLA2G10NOD2NOD1OPRK1KCNH2
SCHEMBL19856981 0.91 SIRT3 (0.38) CNR2NOD2NOD1
SCHEMBL19856935 0.91 PARP10 (0.40) PLA2G10OPRK1KCNH2
SCHEMBL19857001 0.90 TRPA1 (0.40) CNR2NOD2NOD1
SCHEMBL19856992 0.87 CCR2 (0.34) PLA2G10CNR2CCR2HSD11B1
SCHEMBL19856952 0.86 ALDH1A1 (0.39) NOD2NOD1CCR2MCL1
SCHEMBL19856907 0.86 HCRTR1 (0.33) PIK3CDCNR2NOD2NOD1
SCHEMBL19856929 0.86 CCR2 (0.35) CNR2CCR2F10HSD11B1

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