SCHEMBL5208528

SCHEMBL5208528

CC(O)CN(C)C(=O)O.FC(F)(F)c1cccc(-c2c[nH]c(C3CCCCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 1/20 0.40
UCHL1 P09936 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
RAB9A P51151 1/20 0.37
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KMO O15229 2/20 0.37
CNR2 P34972 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIN1 Q13526 1/20 0.36
GPR142 Q7Z601 2/20 0.36
SOS1 Q07889 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL5210403 0.87 SOS1 (0.45) POLBMEN1ALDH1A1KMT2AUCHL1
SCHEMBL5205435 0.82 KMO (0.41) POLBMEN1ALDH1A1KMT2AADORA1
SCHEMBL5210647 0.80 TRPV3 (0.46) POLBMEN1ALDH1A1KMT2AADORA1
SCHEMBL5207759 0.79 ADORA1 (0.43) POLBMEN1ALDH1A1KMT2AADORA1
SCHEMBL5206782 0.78 FAAH (0.47) ALDH1A1ADORA1ITGB3ITGA2BRAB9A
SCHEMBL5207845 0.76 ADORA1 (0.41) POLBMEN1ALDH1A1KMT2AADORA1
SCHEMBL5206565 0.76 KCNH2 (0.47) POLBMEN1ALDH1A1KMT2ARAB9A
SCHEMBL14608992 0.76 KCNH2 (0.47) POLBMEN1ALDH1A1KMT2ARAB9A
SCHEMBL5205158 0.76 KCNH2 (0.47) POLBMEN1ALDH1A1KMT2ARAB9A
SCHEMBL312676 0.74 KMO (0.44) POLBMEN1ALDH1A1KMT2AADORA1

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
EP-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP claimed