SCHEMBL7681850

SCHEMBL7681850

COc1cc(-c2nc(NC(=O)c3cc4c(OC)c(OC)ccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.35
MAPT P10636 6/20 0.34
TP53 P04637 4/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
CCKAR P32238 1/20 0.34
KMT2A Q03164 1/20 0.34
PLTP P55058 2/20 0.33
ROCK2 O75116 1/20 0.32
ACHE P22303 1/20 0.31
DYRK1A Q13627 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
SCHEMBL7688220 0.93 TRPV4 (0.35) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7686931 0.92 TRPV4 (0.35) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7683689 0.91 TRPV4 (0.35) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7688634 0.91 MEN1 (0.37) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7688378 0.90 MEN1 (0.38) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7679733 0.90 TRPV4 (0.36) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7679752 0.89 MEN1 (0.38) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7684176 0.89 TRPV4 (0.38) TRPV4MAPTTP53MEN1CCKAR
SCHEMBL6703653 0.89 MEN1 (0.37) TRPV4MAPTTP53LMNAMEN1
SCHEMBL7688740 0.89 MEN1 (0.46) TRPV4MAPTTP53LMNAMEN1

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