SCHEMBL3671172

SCHEMBL3671172

Cc1c(Cl)cncc1C(CNC1=NCCO1)c1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
ADRA2A P08913 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
AOC3 Q16853 1/20 0.30
POLB P06746 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
SCHEMBL3668515 0.90 CFB (0.33) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3668500 0.84 CFB (0.35) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3433522 0.83 CFB (0.41) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3414027 0.81 CFB (0.39) CFBTAAR1ADRA2AADRB2ADRB1
SCHEMBL3415420 0.81 ADRA2A (0.41) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3414425 0.81 TAAR1 (0.44) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3415102 0.79 CFB (0.34) CFBTAAR1ADRA2AADRB2ADRB1
SCHEMBL3673459 0.78 P2RX7 (0.41) CFB
SCHEMBL3671371 0.78 KCNA5 (0.33) CFBADRB2ADRB1ADRB3POLB
SCHEMBL3672607 0.77 P2RX7 (0.35) CFBTAAR1ADRA2AADRB2ADRB1

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-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed