SCHEMBL19856988

SCHEMBL19856988

Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](n2c(C(N)=O)cc3ccccc32)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.41
NOD1 Q9Y239 2/20 0.41
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G10 O15496 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
KDM1A O60341 1/20 0.31
SLC6A7 Q99884 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL19856960 0.94 PLA2G10 (0.38) NOD2NOD1CNR2PLA2G10
SCHEMBL19856991 0.93 SLC6A7 (0.37) NOD2NOD1CNR2SMN1; SMN2PLA2G10
SCHEMBL19856981 0.91 SIRT3 (0.38) NOD2NOD1CNR2NPC1RAB9A
SCHEMBL19857001 0.90 TRPA1 (0.40) NOD2NOD1CNR2NPC1RAB9A
SCHEMBL19856905 0.90 BTK (0.38) NOD2NOD1PLA2G10HTTMEN1
SCHEMBL19856907 0.89 HCRTR1 (0.33) NOD2NOD1CNR2SMN1; SMN2PDGFRB
SCHEMBL19856933 0.89 HPGD (0.36) NOD2NOD1NPC1PKMRAB9A
SCHEMBL19856992 0.85 CCR2 (0.34) CNR2KDM4EPLA2G10MEN1KMT2A
SCHEMBL19856935 0.85 PARP10 (0.40) PLA2G10
SCHEMBL19856929 0.84 CCR2 (0.35) CNR2KDM4ELMNA

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