SCHEMBL7682408

SCHEMBL7682408

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.32
MAPT P10636 4/20 0.32
ECE1 P42892 1/20 0.32
PLTP P55058 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RORC P51449 2/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F10 P00742 1/20 0.31
TP53 P04637 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
Trifluoroacetic Acid SCHEMBL7682405 0.91 ATM (0.35) TRPV4MAPTECE1PLTPALDH1A1
SCHEMBL7686591 0.90 TRPV4 (0.36) TRPV4MAPTECE1PLTPALDH1A1
SCHEMBL7684406 0.89 MAPT (0.34) TRPV4MAPTECE1PLTPALDH1A1
SCHEMBL6702441 0.87 MAPT (0.39) TRPV4MAPTALDH1A1HPGDKDM4E
SCHEMBL6703725 0.86 MAPT (0.34) TRPV4MAPTECE1PLTPALDH1A1
SCHEMBL226080 0.85 TRPV4 (0.32) TRPV4PLTPTP53
SCHEMBL7682217 0.85 TRPV4 (0.38) TRPV4MAPTECE1PLTPALDH1A1
SCHEMBL6704668 0.85 TRPV4 (0.34) TRPV4MAPTECE1PLTPALDH1A1
SCHEMBL6702797 0.84 GAA (0.39) TRPV4MAPTECE1ALDH1A1HPGD
SCHEMBL6703653 0.84 MEN1 (0.37) TRPV4MAPTECE1PLTPALDH1A1

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