SCHEMBL7741203

SCHEMBL7741203

CC(=O)N(C)CC1CCc2c(O)ccc3c2c1cn3C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
HTR6 P50406 1/20 0.35
HSD11B1 P28845 1/20 0.32
PLD1 Q13393 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL7735697 0.86 MTNR1A (0.44)
SCHEMBL7735721 0.62 MTNR1A (0.45)
SCHEMBL11006316 0.61 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6630621 0.58 METAP1 (0.51) ALDH1A1
SCHEMBL6082396 0.56 MTNR1A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL11002465 0.55 ADRA2A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL23560059 0.55 ACHE (0.42)
SCHEMBL6080729 0.55 MTNR1B (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12970629 0.54 GRIN2B (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12164426 0.54

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed