SCHEMBL7688738

SCHEMBL7688738

COc1cc(-c2nc(NC(=O)c3cc4ccccc4n3CC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CCKAR P32238 1/20 0.46
KMT2A Q03164 1/20 0.46
F10 P00742 15/20 0.39
F2 P00734 4/20 0.38
CNR2 P34972 1/20 0.35
KLK1 P06870 1/20 0.35

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
SCHEMBL7679713 0.94 MEN1 (0.40) MEN1CCKARKMT2AF10F2
SCHEMBL7688495 0.93 MEN1 (0.39) MEN1CCKARKMT2AF10F2
SCHEMBL6703652 0.92 MEN1 (0.38) MEN1CCKARKMT2AF10
SCHEMBL7685928 0.91 CNR2 (0.42) MEN1CCKARKMT2AF10CNR2
SCHEMBL7679728 0.87 TP53 (0.36) KMT2AF10
SCHEMBL6704409 0.87 MAPT (0.32) MEN1CCKARKMT2AF10
SCHEMBL6703723 0.87 F10 (0.36) MEN1CCKARKMT2AF10
SCHEMBL7682297 0.86 CNR2 (0.40) MEN1CCKARKMT2AF10CNR2
SCHEMBL7686588 0.85 F10 (0.36) MEN1CCKARKMT2AF10
SCHEMBL7086907 0.85 F10 (0.38) MEN1CCKARKMT2AF10F2

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