SCHEMBL7688740

SCHEMBL7688740

COc1cc(-c2nc(NC(=O)c3cc4ccccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CCKAR P32238 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV4 Q9HBA0 7/20 0.39
ECE1 P42892 1/20 0.35
F10 P00742 1/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.34
PLTP P55058 2/20 0.34
LMNA P02545 1/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL7679717 0.94 MEN1 (0.40) MEN1CCKARKMT2ATRPV4ECE1
SCHEMBL7688497 0.93 MEN1 (0.39) MEN1CCKARKMT2ATRPV4ECE1
SCHEMBL7679752 0.92 MEN1 (0.38) MEN1CCKARKMT2ATRPV4ECE1
SCHEMBL7684903 0.92 KMT2A (0.42) MEN1CCKARKMT2ATRPV4ECE1
SCHEMBL7688378 0.92 MEN1 (0.38) MEN1CCKARKMT2ATRPV4F10
SCHEMBL6703653 0.92 MEN1 (0.37) MEN1CCKARKMT2ATRPV4ECE1
SCHEMBL7688634 0.92 MEN1 (0.37) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7684176 0.92 TRPV4 (0.38) MEN1CCKARKMT2ATRPV4ECE1
SCHEMBL7685931 0.91 CNR2 (0.41) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7683987 0.91 CCR2 (0.38) MEN1CCKARKMT2ATRPV4TP53

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 1 patent. 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 disclosed