SCHEMBL7686591

SCHEMBL7686591

COc1cc(-c2nc(NC(=O)c3cc4cc(C)ccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.36
ECE1 P42892 1/20 0.35
MAPT P10636 3/20 0.35
PLTP P55058 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
CCKAR P32238 1/20 0.34
RORC P51449 1/20 0.34
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7682405 0.97 ATM (0.35) TRPV4ECE1MAPTPLTPMEN1
SCHEMBL6702797 0.94 GAA (0.39) TRPV4ECE1MAPTMEN1KMT2A
SCHEMBL6703653 0.93 MEN1 (0.37) TRPV4ECE1MAPTPLTPMEN1
SCHEMBL7684406 0.93 MAPT (0.34) TRPV4ECE1MAPTPLTPMEN1
SCHEMBL7684903 0.92 KMT2A (0.42) TRPV4ECE1PLTPMEN1KMT2A
SCHEMBL7682408 0.90 TRPV4 (0.32) TRPV4ECE1MAPTPLTPMEN1
SCHEMBL7679779 0.88 TRPV4 (0.37) TRPV4PLTPMEN1KMT2ACCKAR
SCHEMBL6702441 0.88 MAPT (0.39) TRPV4MAPTMEN1KMT2ACYP3A4
SCHEMBL6703725 0.88 MAPT (0.34) TRPV4ECE1MAPTPLTPMEN1
SCHEMBL6699876 0.88 PTGDR2 (0.35) TRPV4MAPTPLTPMEN1KMT2A

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
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed