SCHEMBL3672607

SCHEMBL3672607

Clc1cccc(C(CNC2=NCCO2)c2ccc(Cl)nc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
CFB P00751 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 1/20 0.32
FAAH O00519 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
ABL1 P00519 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL3414027 0.87 CFB (0.39) CFBSLC6A2SLC6A4FAAHADRB2
SCHEMBL3415420 0.84 ADRA2A (0.41) CFBSLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL3668500 0.81 CFB (0.35) CFBSLC6A2SLC6A4ADRB2ADRB1
SCHEMBL3671371 0.79 KCNA5 (0.33) CFBFAAHADRB2ADRB1ADRB3
SCHEMBL3415102 0.78 CFB (0.34) CFBSLC6A2SLC6A4FAAHADRB2
SCHEMBL3433522 0.78 CFB (0.41) CFBSLC6A2SLC6A4FAAHADRB2
SCHEMBL3414425 0.77 TAAR1 (0.44) CFBSLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL3671172 0.77 CFB (0.36) CFBSLC6A2SLC6A4ADRB2ADRB1
SCHEMBL3668515 0.76 CFB (0.33) CFBSLC6A2SLC6A4ADRB2ADRB1
SCHEMBL1157281 0.75 ADRA2A (0.32) CFBCYP3A4CYP2D6ADRA2AADRA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242753-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-27 EP disclosed
EP-2240468-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-20 EP disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed