SCHEMBL19856992

SCHEMBL19856992

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1Cl)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.34
P2RX7 Q99572 3/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CNR2 P34972 2/20 0.31
PLA2G10 O15496 2/20 0.31
GAA P10253 1/20 0.30
SPR P35270 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
SCHEMBL19856941 0.93 TNF (0.37) CCR2P2RX7MEN1KMT2ACRHBP
SCHEMBL19856929 0.93 CCR2 (0.35) CCR2KDM4EHSD11B1CNR2
SCHEMBL19856933 0.92 HPGD (0.36) CCR2ALDH1A1HSD11B1SPR
SCHEMBL19856957 0.90 AVPR1A (0.34) CCR2HSD11B1
SCHEMBL19857030 0.89 PLA2G10 (0.38) CCR2KMT2ACRHR2PLA2G10
SCHEMBL19856975 0.89 SMN1; SMN2 (0.34) CCR2KDM4EALDH1A1HSD11B1MEN1
SCHEMBL19856993 0.89 PLA2G10 (0.38) CCR2PLA2G10
SCHEMBL19856969 0.88 BTK (0.37) CCR2MGLLPLA2G10GAA
SCHEMBL19856960 0.87 PLA2G10 (0.38) CCR2HSD11B1CNR2PLA2G10
SCHEMBL19856907 0.86 HCRTR1 (0.33) CNR2SPR

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