SCHEMBL6703653

SCHEMBL6703653

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCKAR P32238 1/20 0.37
TRPV4 Q9HBA0 4/20 0.35
ECE1 P42892 1/20 0.35
MAPT P10636 6/20 0.34
TP53 P04637 3/20 0.33
PLTP P55058 2/20 0.33
LMNA P02545 2/20 0.33
PI4KB Q9UBF8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6703725 0.95 MAPT (0.34) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL7679752 0.94 MEN1 (0.38) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL7684176 0.93 TRPV4 (0.38) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL7686591 0.93 TRPV4 (0.36) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL7688740 0.92 MEN1 (0.46) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL7688727 0.90 TRPV4 (0.36) MEN1KMT2ACCKARTRPV4MAPT
Trifluoroacetic Acid SCHEMBL7682405 0.90 ATM (0.35) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL4279264 0.90 MEN1 (0.34) MEN1KMT2ACCKARTRPV4ECE1
SCHEMBL7686931 0.90 TRPV4 (0.35) MEN1KMT2ACCKARTRPV4MAPT
SCHEMBL29403637 0.90 TRPV4 (0.36) MEN1KMT2ACCKARTRPV4MAPT

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 6 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-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
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