SCHEMBL19856929

SCHEMBL19856929

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
F10 P00742 3/20 0.31
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CFTR P13569 2/20 0.30
CNR2 P34972 2/20 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
SCHEMBL19856941 0.93 TNF (0.37) CCR2F10
SCHEMBL19856992 0.93 CCR2 (0.34) CCR2KDM4EHSD11B1CNR2
SCHEMBL19857030 0.91 PLA2G10 (0.38) CCR2HCRTR1HCRTR2
SCHEMBL19856969 0.90 BTK (0.37) CCR2
SCHEMBL19856910 0.89 HCRTR2 (0.37) TSHRALOX15KDM4EHCRTR1HCRTR2
SCHEMBL19856933 0.89 HPGD (0.36) CCR2HSD11B1HCRTR1HCRTR2
SCHEMBL19856957 0.87 AVPR1A (0.34) CCR2HSD11B1
SCHEMBL19856975 0.86 SMN1; SMN2 (0.34) CCR2LMNATP53F10KDM4E
SCHEMBL19856993 0.86 PLA2G10 (0.38) CCR2HCRTR1HCRTR2
SCHEMBL19856960 0.86 PLA2G10 (0.38) CCR2F10HSD11B1CNR2

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