SCHEMBL8077604

SCHEMBL8077604

OC(c1ccc(F)cc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 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
SCHEMBL477696 0.85 LMNA (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30986717 0.85 LMNA (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL477685 0.85 LMNA (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL477543 0.85 LMNA (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14033098 0.82 ACP3 (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10137032 0.82 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL31332147 0.80 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL598905 0.80 ALDH1A1 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL2762909 0.79 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
Dimethylamine SCHEMBL11569829 0.79 SLC6A4 (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed