SCHEMBL19856957

SCHEMBL19856957

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccccc2)cc1Cl)n1c(C(N)=O)cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.34
AVPR2 P30518 4/20 0.34
SLC6A7 Q99884 1/20 0.33
CCR2 P41597 2/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HSD11B1 P28845 1/20 0.30
FFAR2 O15552 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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 0.92 TNF (0.37) AVPR1AAVPR2CCR2
SCHEMBL19856933 0.91 HPGD (0.36) AVPR1AAVPR2CCR2HSD11B1
SCHEMBL19856992 0.90 CCR2 (0.34) CCR2HSD11B1
SCHEMBL19856991 0.88 SLC6A7 (0.37) SLC6A7DPP4DPP8DPP9DPP7
SCHEMBL19856993 0.88 PLA2G10 (0.38) CCR2
SCHEMBL19856975 0.88 SMN1; SMN2 (0.34) CCR2HSD11B1
SCHEMBL19856929 0.87 CCR2 (0.35) CCR2HSD11B1
SCHEMBL19856960 0.84 PLA2G10 (0.38) CCR2HSD11B1
SCHEMBL19857030 0.83 PLA2G10 (0.38) CCR2
SCHEMBL19856907 0.82 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