SCHEMBL7679779

SCHEMBL7679779

COc1cc(-c2nc(NC(=O)c3cc4c(OC)cccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.37
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
APLNR P35414 3/20 0.34
PLTP P55058 2/20 0.34
MEN1 O00255 1/20 0.33
CCKAR P32238 1/20 0.33
PDE4B Q07343 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CCR2 P41597 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
SCHEMBL7688634 0.93 MEN1 (0.37) TRPV4KMT2AAPLNRPLTPMEN1
SCHEMBL7684903 0.92 KMT2A (0.42) TRPV4SAE1UBA2GAAKMT2A
SCHEMBL7688378 0.90 MEN1 (0.38) TRPV4GAAKMT2APLTPMEN1
SCHEMBL7686591 0.88 TRPV4 (0.36) TRPV4GAAKMT2APLTPMEN1
SCHEMBL6702797 0.88 GAA (0.39) TRPV4GAAKMT2APOLBMEN1
SCHEMBL6702896 0.86 MAPT (0.34) TRPV4SAE1UBA2GAAPLTP
SCHEMBL7682217 0.86 TRPV4 (0.38) TRPV4SAE1UBA2GAAKMT2A
SCHEMBL7683689 0.86 TRPV4 (0.35) TRPV4SAE1GAAKMT2APOLB
Trifluoroacetic Acid SCHEMBL7682405 0.85 ATM (0.35) TRPV4GAAKMT2APLTPMEN1
SCHEMBL7686931 0.85 TRPV4 (0.35) TRPV4SAE1KMT2APLTPMEN1

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