SCHEMBL3668515

SCHEMBL3668515

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
PTGFR P43088 3/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL3671172 0.90 CFB (0.36) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3415102 0.84 CFB (0.34) CFBTAAR1IDO1TDO2ADRA2A
SCHEMBL3668500 0.82 CFB (0.35) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3433522 0.82 CFB (0.41) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3414027 0.80 CFB (0.39) CFBTAAR1ADRA2AADRB2ADRB1
SCHEMBL3415420 0.79 ADRA2A (0.41) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL3414425 0.79 TAAR1 (0.44) CFBTAAR1ADRA2AADRA1AADRB2
SCHEMBL1156951 0.77 CFB (0.33) CFBIDO1TDO2ADRA2AADRA1A
SCHEMBL3671371 0.76 KCNA5 (0.33) CFBADRB2ADRB1ADRB3
SCHEMBL3672607 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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