SCHEMBL19856907

SCHEMBL19856907

Cc1ccc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](n2c(C(N)=O)cc3ccccc32)C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SPR P35270 1/20 0.31
PIK3CD O00329 1/20 0.31
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
CNR2 P34972 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
SCHEMBL19856933 0.91 HPGD (0.36) HCRTR1HCRTR2NOD2NOD1SMN1; SMN2
SCHEMBL19856988 0.89 NOD2 (0.41) NOD2NOD1SMN1; SMN2PDGFRBKDR
SCHEMBL19856992 0.86 CCR2 (0.34) SPRCNR2
SCHEMBL19856960 0.86 PLA2G10 (0.38) NOD2NOD1PIK3CDCNR2
SCHEMBL19856941 0.84 TNF (0.37) NOD2NOD1
SCHEMBL19856929 0.84 CCR2 (0.35) HCRTR1HCRTR2CNR2
SCHEMBL19856991 0.82 SLC6A7 (0.37) NOD2NOD1SMN1; SMN2CNR2
SCHEMBL19856957 0.82 AVPR1A (0.34)
SCHEMBL19856975 0.81 SMN1; SMN2 (0.34) SMN1; SMN2KDR
SCHEMBL19857030 0.81 PLA2G10 (0.38) HCRTR1HCRTR2

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