SCHEMBL19857016

SCHEMBL19857016

COc1cc(C)ccc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](n1c(C(N)=O)cc2ccccc21)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.36
HCRTR1 O43613 4/20 0.36
MAPT P10636 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
MAP3K12 Q12852 1/20 0.32
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
PDE2A O00408 2/20 0.31
AHR P35869 1/20 0.31
SPR P35270 1/20 0.31
GAA P10253 1/20 0.31
NR1H2 P55055 1/20 0.30
LMNA P02545 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
SCHEMBL19856910 0.93 HCRTR2 (0.37) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL19856933 0.89 HPGD (0.36) HCRTR2HCRTR1NOD2NOD1SPR
SCHEMBL19856907 0.88 HCRTR1 (0.33) HCRTR2HCRTR1NOD2NOD1SPR
SCHEMBL19856988 0.86 NOD2 (0.41) MAPTNOD2NOD1MEN1KMT2A
SCHEMBL19856975 0.85 SMN1; SMN2 (0.34) MAPTMEN1POLBKMT2AAHR
SCHEMBL19856981 0.83 SIRT3 (0.38) NOD2NOD1MEN1KMT2ALMNA
SCHEMBL19856992 0.83 CCR2 (0.34) MEN1KMT2ASPRGAA
SCHEMBL19856960 0.83 PLA2G10 (0.38) NOD2NOD1
SCHEMBL19856929 0.82 CCR2 (0.35) HCRTR2HCRTR1LMNA
SCHEMBL19856957 0.81 AVPR1A (0.34)

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