SCHEMBL7933396

SCHEMBL7933396

CC(C)(C)[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
AVPR1A P37288 2/20 0.36
MALT1 Q9UDY8 2/20 0.36
RIPK1 Q13546 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL19856964 0.78 GRM1 (0.40) GRM1TSHRALDH1A1KDM4EHSD17B10
SCHEMBL1550105 0.78 GRM1 (0.40) GRM1TSHRALDH1A1KDM4EHSD17B10
SCHEMBL8002379 0.75 GAA (0.40) GAAMAPTREN
SCHEMBL7946404 0.73 REN (0.32) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL1931296 0.70 DRD2 (0.41) GAAHPGDDRD2
SCHEMBL1931082 0.70 DRD2 (0.41) GAAHPGDDRD2
SCHEMBL12552719 0.70 DRD2 (0.41) GAAHPGDDRD2
SCHEMBL25664269 0.69 GAA (0.37) GAAMAPTREN
SCHEMBL19856963 0.68 GRM1 (0.41) GRM1TSHRALDH1A1KDM4EHSD17B10
SCHEMBL25877347 0.68 GAA (0.40) GAAMAPT

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
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed