SCHEMBL19856981

SCHEMBL19856981

COc1ccc(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 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.38
CNR2 P34972 6/20 0.37
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL19856905 0.92 BTK (0.38) NOD2NOD1MEN1KMT2A
SCHEMBL19856988 0.91 NOD2 (0.41) CNR2SMN1; SMN2NOD2NOD1NPC1
SCHEMBL19856960 0.91 PLA2G10 (0.38) CNR2NOD2NOD1
SCHEMBL19856991 0.90 SLC6A7 (0.37) CNR2SMN1; SMN2NOD2NOD1LMNA
SCHEMBL19857001 0.87 TRPA1 (0.40) CNR2NOD2NOD1NPC1RAB9A
SCHEMBL19856992 0.82 CCR2 (0.34) CNR2MEN1KMT2AALDH1A1
SCHEMBL19856929 0.81 CCR2 (0.35) CNR2TP53TSHRLMNA
SCHEMBL19856907 0.81 HCRTR1 (0.33) CNR2SMN1; SMN2NOD2NOD1
SCHEMBL19856933 0.80 HPGD (0.36) SMN1; SMN2NOD2NOD1NPC1RAB9A
SCHEMBL19857006 0.80 CNR1 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1

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