SCHEMBL10408697

SCHEMBL10408697

CCCc1ccccc1NCCOC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
ABCB1 P08183 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SCD O00767 1/20 0.33
PLA2G7 Q13093 1/20 0.32
GRM2 Q14416 1/20 0.32
P2RX7 Q99572 1/20 0.32
PPARD Q03181 1/20 0.32
NCF1 P14598 1/20 0.31
POLB P06746 1/20 0.31
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23128884 0.83 ADRA2B (0.46) ADRA2BADRA2CHTTMAPTABCB1
SCHEMBL7736374 0.83 MAPT (0.43) HTTMAPTNCF1ALDH1A1
SCHEMBL5839452 0.81 ADRA2B (0.51) ADRA2BADRA2CHTTMAPTABCB1
SCHEMBL10408267 0.80 EDNRB (0.34) HTTALDH1A1
SCHEMBL10409004 0.79 ADRA2B (0.50) ADRA2BADRA2CHTTMAPTABCB1
SCHEMBL5839104 0.78 ADRA2B (0.49) ADRA2BADRA2CHTTMAPTABCB1
SCHEMBL28149917 0.76 ALDH1A1 (0.41) HTTMAPTPOLBALDH1A1
SCHEMBL20797652 0.76 NCF1 (0.39) HTTMAPTNCF1ALDH1A1
SCHEMBL8679853 0.75 ADRA2B (0.53) ADRA2BADRA2CHTTMAPTABCB1
SCHEMBL11455284 0.75 KDM4E (0.47) ADRA2BADRA2CHTTMAPTSCD

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-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 US disclosed