SCHEMBL3414027

SCHEMBL3414027

Clc1cccc(C(CNC2=NCCO2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 1/20 0.35
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
FAAH O00519 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ACP3 P15309 1/20 0.34
AOC3 Q16853 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
CASR P41180 1/20 0.33

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
SCHEMBL3415420 0.92 ADRA2A (0.41) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3433522 0.87 CFB (0.41) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3415102 0.87 CFB (0.34) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3672607 0.87 P2RX7 (0.35) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3414425 0.86 TAAR1 (0.44) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3668500 0.85 CFB (0.35) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3671371 0.83 KCNA5 (0.33) CFBADRB2ADRB1ADRB3FAAH
SCHEMBL3671172 0.81 CFB (0.36) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3668515 0.80 CFB (0.33) CFBADRB2ADRB1ADRB3SLC6A2
SCHEMBL3411857 0.78 CFB (0.36) CFBADRA2AADRA2BADRA2CTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265269-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF Allergan, Inc. (US) 2010-12-29 EP disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 WO disclosed