SCHEMBL19857030

SCHEMBL19857030

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)(F)F)ccc1Cl)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.38
CRHR1 P34998 8/20 0.37
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CRHR2 Q13324 1/20 0.34
CCR2 P41597 1/20 0.33
PPARG P37231 2/20 0.32
ITGAL P20701 3/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 2/20 0.32

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
SCHEMBL19856993 0.94 PLA2G10 (0.38) PLA2G10CRHR1HCRTR1HCRTR2CCR2
SCHEMBL19856929 0.91 CCR2 (0.35) HCRTR1HCRTR2CCR2
SCHEMBL19856992 0.89 CCR2 (0.34) PLA2G10CRHR2CCR2KMT2A
SCHEMBL19857017 0.87 PLA2G10 (0.37) PLA2G10CRHR1CCR2PPARG
SCHEMBL19856941 0.86 TNF (0.37) CRHR2CCR2KMT2A
SCHEMBL19856933 0.85 HPGD (0.36) HCRTR1HCRTR2CCR2
SCHEMBL19856957 0.83 AVPR1A (0.34) CCR2
SCHEMBL19856975 0.82 SMN1; SMN2 (0.34) PLA2G10CCR2KMT2A
SCHEMBL19856960 0.82 PLA2G10 (0.38) PLA2G10CCR2
SCHEMBL19856907 0.81 HCRTR1 (0.33) 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