SCHEMBL7688727

SCHEMBL7688727

COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(Cl)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.36
PI4KB Q9UBF8 2/20 0.33
PLTP P55058 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
CCKAR P32238 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 2/20 0.31
HTR4 Q13639 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL29403637 0.95 TRPV4 (0.36) TRPV4PI4KBPLTPMAPTLMNA
SCHEMBL1008694 0.95 TRPV4 (0.36) TRPV4PI4KBPLTPMAPTLMNA
SCHEMBL7682714 0.94 TRPV4 (0.36) TRPV4PI4KBPLTPMAPTLMNA
Diethylamine SCHEMBL7031731 0.92 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
Trifluoroacetic Acid SCHEMBL30480661 0.92 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
Trifluoroacetic Acid SCHEMBL226079 0.92 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
SCHEMBL7682713 0.92 TRPV4 (0.35) TRPV4PI4KBPLTPMAPTLMNA
Monoethanolamine SCHEMBL7032257 0.92 TRPV4 (0.34) TRPV4PI4KBPLTPMAPTLMNA
SCHEMBL7686063 0.91 TRPV4 (0.39) TRPV4PLTPMAPTLMNATP53
Diethanolamine SCHEMBL7021233 0.91 TRPV4 (0.33) TRPV4PI4KBPLTP

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