SCHEMBL13243246

SCHEMBL13243246

CC1CN1C(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.46
POLB P06746 2/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PDK2 Q15119 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
KMT2A Q03164 1/20 0.43
GPR183 P32249 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL17098969 0.90 GAA (0.60) HPGDGAALMNAL3MBTL1PDK2
SCHEMBL5200455 0.82 ALDH1A1 (0.54) HPGDGAALMNAL3MBTL1CES2
SCHEMBL4627212 0.82 PDK2 (0.72) PDK2PDK1PDK3PDK4
SCHEMBL4627214 0.82 PDK2 (0.72) PDK2PDK1PDK3PDK4
SCHEMBL3888129 0.81 SLC6A7 (0.57) HPGDGAAPOLBKMT2AMGLL
SCHEMBL3901950 0.81 GAA (0.51) HPGDGAACES2CES1PDK2
SCHEMBL252505 0.80 ACHE (0.55) HPGDGAAL3MBTL1CHRNA7
SCHEMBL788241 0.80 GAA (0.84) HPGDGAALMNAL3MBTL3L3MBTL1
SCHEMBL20788400 0.80 HPGD (0.51) HPGDLMNAPOLBL3MBTL3L3MBTL1
SCHEMBL20788402 0.80 HPGD (0.51) HPGDLMNAPOLBL3MBTL3L3MBTL1

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-2010088408-A2 SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 WO disclosed