SCHEMBL7679752

SCHEMBL7679752

COc1cc(-c2nc(NC(=O)c3cc4cc(Cl)ccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CCKAR P32238 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV4 Q9HBA0 4/20 0.36
MAPT P10636 4/20 0.35
ECE1 P42892 1/20 0.35
CCR2 P41597 2/20 0.34
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PLTP P55058 2/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MPL P40238 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
SCHEMBL7684176 0.94 TRPV4 (0.38) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL6703653 0.94 MEN1 (0.37) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7688740 0.92 MEN1 (0.46) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7688220 0.90 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7682714 0.90 TRPV4 (0.36) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7681850 0.89 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7686931 0.89 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL4279264 0.89 MEN1 (0.34) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7683689 0.89 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4MAPT
SCHEMBL7688378 0.89 MEN1 (0.38) MEN1CCKARKMT2ATRPV4MAPT

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