SCHEMBL7679713

SCHEMBL7679713

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(Cl)cc3OC)c(C(C)C3CCCCC3)s2)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CCKAR P32238 1/20 0.40
KMT2A Q03164 1/20 0.40
F10 P00742 17/20 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
SCHEMBL7688738 0.94 MEN1 (0.46) MEN1CCKARKMT2AF10F2
SCHEMBL7688495 0.93 MEN1 (0.39) MEN1CCKARKMT2AF10F2
SCHEMBL6703723 0.92 F10 (0.36) MEN1CCKARKMT2AF10
SCHEMBL7086907 0.91 F10 (0.38) MEN1CCKARKMT2AF10F2
SCHEMBL6704664 0.90 SAE1 (0.33) F10
SCHEMBL7685928 0.89 CNR2 (0.42) MEN1CCKARKMT2AF10CNR2
SCHEMBL6705251 0.89 SAE1 (0.34)
SCHEMBL6703652 0.87 MEN1 (0.38) MEN1CCKARKMT2AF10
SCHEMBL6702286 0.87 MAPT (0.32) KMT2AF10
SCHEMBL7679717 0.85 MEN1 (0.40) 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