SCHEMBL7685928

SCHEMBL7685928

COc1cc(-c2nc(NC(=O)c3cc4ccccc4n3CCCCCC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.42
MEN1 O00255 1/20 0.38
CCKAR P32238 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
TRPV4 Q9HBA0 2/20 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
SCHEMBL7688738 0.91 MEN1 (0.46) CNR2MEN1CCKARKMT2AF10
SCHEMBL7682297 0.91 CNR2 (0.40) CNR2MEN1CCKARKMT2AF10
SCHEMBL7679713 0.89 MEN1 (0.40) CNR2MEN1CCKARKMT2AF10
SCHEMBL7688495 0.87 MEN1 (0.39) CNR2MEN1CCKARKMT2AF10
SCHEMBL7685931 0.86 CNR2 (0.41) CNR2MEN1CCKARKMT2AHDAC1
SCHEMBL6703652 0.84 MEN1 (0.38) MEN1CCKARKMT2AF10ALDH1A1
SCHEMBL6703723 0.81 F10 (0.36) MEN1CCKARKMT2AF10ALDH1A1
SCHEMBL7679728 0.80 TP53 (0.36) KMT2AF10HTTTRPV4
SCHEMBL6704409 0.80 MAPT (0.32) MEN1CCKARKMT2AF10ALDH1A1
SCHEMBL7086907 0.80 F10 (0.38) CNR2MEN1CCKARKMT2AF10

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