SCHEMBL7682301

SCHEMBL7682301

COc1cc(-c2nc(NC(=O)c3cc4ccccc4n3CCCC(=O)O)sc2CCC2CCCCC2)c(OC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.40
CNR2 P34972 5/20 0.39
GAA P10253 1/20 0.35
ECE1 P42892 1/20 0.34
MEN1 O00255 1/20 0.34
CCKAR P32238 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY1R P25929 1/20 0.34
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL7684903 0.92 KMT2A (0.42) TRPV4CNR2GAAECE1MEN1
SCHEMBL7685931 0.91 CNR2 (0.41) TRPV4CNR2MEN1CCKARKMT2A
SCHEMBL7682217 0.89 TRPV4 (0.38) TRPV4CNR2GAAECE1MEN1
SCHEMBL7677660 0.88 TRPV4 (0.37) TRPV4CNR2GAAECE1MEN1
SCHEMBL7688740 0.86 MEN1 (0.46) TRPV4ECE1MEN1CCKARKMT2A
SCHEMBL7682297 0.85 CNR2 (0.40) TRPV4CNR2ECE1MEN1CCKAR
SCHEMBL6702493 0.85 CTSS (0.38) TRPV4CNR2MEN1CCKARKMT2A
SCHEMBL7686591 0.84 TRPV4 (0.36) TRPV4GAAECE1MEN1CCKAR
SCHEMBL7679779 0.84 TRPV4 (0.37) TRPV4GAAMEN1CCKARKMT2A
SCHEMBL6702797 0.84 GAA (0.39) TRPV4GAAECE1MEN1KMT2A

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