SCHEMBL20005149

SCHEMBL20005149

FC1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
MAPT P10636 4/20 0.41
IGF1R P08069 1/20 0.41
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.38
NPY5R Q15761 1/20 0.38
TSHR P16473 1/20 0.38
MGLL Q99685 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL16669437 0.85 L3MBTL3 (0.44) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28627355 0.83 L3MBTL1 (0.42) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL10182603 0.83 HRH3 (0.46) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL31341874 0.83 L3MBTL3 (0.45) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL31252540 0.81 AKR1C3 (0.57) AKR1C3SLC6A2SLC6A4MAPTIGF1R
SCHEMBL21590235 0.81 USP2 (0.58) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL578424 0.81 ALDH1A1 (0.50) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL25042402 0.80 L3MBTL3 (0.40) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL19462640 0.79 TSHR (0.40) AKR1C3L3MBTL3L3MBTL1SLC6A2SLC6A4
SCHEMBL22537505 0.78 ADRB1 (0.55) AKR1C3L3MBTL3L3MBTL1MAPTKMT2A

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-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed