SCHEMBL7688617

SCHEMBL7688617

COc1cc(-c2nc(NC(=O)c3cc4c(C)ccc(Cl)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.36
SAE1 Q9UBE0 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 3/20 0.33
PLTP P55058 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CCKAR P32238 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL7685722 0.97 TRPV4 (0.37) TRPV4SAE1MAPTTP53PLTP
SCHEMBL7681859 0.93 TRPV4 (0.35) TRPV4SAE1MAPTTP53PLTP
SCHEMBL7679733 0.91 TRPV4 (0.36) TRPV4SAE1MAPTTP53PLTP
SCHEMBL7686443 0.91 TRPV4 (0.36) TRPV4SAE1MAPTTP53PLTP
SCHEMBL29403637 0.91 TRPV4 (0.36) TRPV4SAE1MAPTTP53PLTP
SCHEMBL1008694 0.91 TRPV4 (0.36) TRPV4SAE1MAPTTP53PLTP
SCHEMBL7688378 0.90 MEN1 (0.38) TRPV4MAPTTP53PLTPPDE4A
SCHEMBL7683689 0.90 TRPV4 (0.35) TRPV4SAE1MAPTTP53PLTP
SCHEMBL7682713 0.90 TRPV4 (0.35) TRPV4SAE1MAPTTP53PLTP
SCHEMBL7688727 0.90 TRPV4 (0.36) TRPV4MAPTTP53PLTPLMNA

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 2 patents. 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 claimed
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