SCHEMBL14639764

SCHEMBL14639764

CC(C)C(=O)N1CCC(NCc2ccccc2Oc2ccc(CI)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
GHSR Q92847 2/20 0.42
EPHX2 P34913 2/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK14 Q16539 2/20 0.38
DRD4 P21917 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL14639763 0.89 NAMPT (0.42) MEN1KMT2APOLBGHSREPHX2
SCHEMBL641796 0.88 SLC6A4 (0.50) MEN1KMT2APOLBGHSREPHX2
SCHEMBL14639726 0.85 MEN1 (0.43) MEN1KMT2APOLBMAPK14DRD4
SCHEMBL641293 0.77 SLC6A4 (0.47) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL642465 0.77 SLC6A4 (0.52) MEN1KMT2APOLBBCHEACHE
SCHEMBL13848430 0.75 DRD4 (0.57) MEN1KMT2APOLBGHSRBCHE
SCHEMBL9965443 0.74 SLC6A4 (0.48) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL640921 0.73 CCR8 (0.57) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL642224 0.73 SLC6A4 (0.46) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL5072840 0.73 MEN1 (0.47) MEN1KMT2APOLBBCHEACHE

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
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed