SCHEMBL19856938

SCHEMBL19856938

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Br)cn1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.32
TGFBR1 P36897 1/20 0.31

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
SCHEMBL1931106 0.88 MGLL (0.34) TGFBR1
SCHEMBL19856960 0.84 PLA2G10 (0.38)
SCHEMBL19856927 0.84 KDM4E (0.34) TGFBR1
SCHEMBL19856988 0.83 NOD2 (0.41)
SCHEMBL19856992 0.81 CCR2 (0.34)
SCHEMBL19856991 0.81 SLC6A7 (0.37)
SCHEMBL19857006 0.80 CNR1 (0.36)
SCHEMBL19856981 0.80 SIRT3 (0.38)
SCHEMBL19856907 0.80 HCRTR1 (0.33)
SCHEMBL19856929 0.80 CCR2 (0.35)

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