SCHEMBL7684903

SCHEMBL7684903

COc1cc(-c2nc(NC(=O)c3cc4ccccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CCKAR P32238 1/20 0.42
TRPV4 Q9HBA0 7/20 0.40
GAA P10253 1/20 0.37
ECE1 P42892 1/20 0.36
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
PLTP P55058 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
CNR2 P34972 1/20 0.34
F10 P00742 1/20 0.34
IMPDH2 P12268 1/20 0.33
POLB P06746 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
SCHEMBL7682217 0.94 TRPV4 (0.38) KMT2AMEN1CCKARTRPV4GAA
SCHEMBL7677660 0.93 TRPV4 (0.37) KMT2AMEN1CCKARTRPV4GAA
SCHEMBL7688740 0.92 MEN1 (0.46) KMT2AMEN1CCKARTRPV4ECE1
SCHEMBL7686591 0.92 TRPV4 (0.36) KMT2AMEN1CCKARTRPV4GAA
SCHEMBL7682301 0.92 TRPV4 (0.40) KMT2AMEN1CCKARTRPV4GAA
SCHEMBL6702797 0.92 GAA (0.39) KMT2AMEN1TRPV4GAAECE1
SCHEMBL7679779 0.92 TRPV4 (0.37) KMT2AMEN1CCKARTRPV4GAA
Trifluoroacetic Acid SCHEMBL7682405 0.89 ATM (0.35) KMT2AMEN1CCKARTRPV4GAA
SCHEMBL7688378 0.87 MEN1 (0.38) KMT2AMEN1CCKARTRPV4GAA
SCHEMBL7679717 0.87 MEN1 (0.40) KMT2AMEN1CCKARTRPV4ECE1

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