SCHEMBL19856935

SCHEMBL19856935

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Oc2ccccc2)c1)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.40
PARP14 Q460N5 6/20 0.40
KCNH2 Q12809 5/20 0.37
OPRK1 P41145 5/20 0.37
MGLL Q99685 1/20 0.36
BTK Q06187 2/20 0.36
CYP2C8 P10632 1/20 0.36
OPRM1 P35372 1/20 0.35
TNKS O95271 1/20 0.35
PARP15 Q460N3 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PLA2G10 O15496 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
FAAH O00519 1/20 0.34

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 0.93 BTK (0.38) PARP10PARP14KCNH2OPRK1BTK
SCHEMBL19856960 0.91 PLA2G10 (0.38) KCNH2OPRK1PLA2G10
SCHEMBL19856969 0.87 BTK (0.37) PARP10PARP14KCNH2MGLLBTK
SCHEMBL19856981 0.86 SIRT3 (0.38)
SCHEMBL19856991 0.85 SLC6A7 (0.37) PLA2G10DPP4DPP7
SCHEMBL19856988 0.85 NOD2 (0.41) PLA2G10
SCHEMBL19857001 0.83 TRPA1 (0.40) MGLL
SCHEMBL19856992 0.80 CCR2 (0.34) MGLLPLA2G10
SCHEMBL19856952 0.79 ALDH1A1 (0.39)
SCHEMBL19856907 0.79 HCRTR1 (0.33)

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