SCHEMBL7688378

SCHEMBL7688378

COc1cc(-c2nc(NC(=O)c3cc4c(C)cccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CCKAR P32238 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV4 Q9HBA0 5/20 0.36
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
RORC P51449 1/20 0.33
ROCK2 O75116 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PLTP P55058 1/20 0.33
LMNA P02545 1/20 0.33
F10 P00742 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
SCHEMBL7688634 0.95 MEN1 (0.37) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7683689 0.92 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4GAA
SCHEMBL7688740 0.92 MEN1 (0.46) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7686931 0.91 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7686443 0.91 TRPV4 (0.36) MEN1CCKARKMT2ATRPV4GAA
SCHEMBL7685722 0.91 TRPV4 (0.37) MEN1CCKARKMT2ATRPV4GAA
SCHEMBL7688220 0.91 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7688617 0.90 TRPV4 (0.36) MEN1CCKARKMT2ATRPV4GAA
SCHEMBL7681850 0.90 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7679779 0.90 TRPV4 (0.37) MEN1CCKARKMT2ATRPV4GAA

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