SCHEMBL3433522

SCHEMBL3433522

Cc1ccccc1C(CNC1=NCCO1)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTSA P10619 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA1A P35348 2/20 0.33
FAAH O00519 1/20 0.33
CCR5 P51681 1/20 0.33
NR3C2 P08235 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3414425 0.88 TAAR1 (0.44) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3414027 0.87 CFB (0.39) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3415102 0.87 CFB (0.34) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3415420 0.84 ADRA2A (0.41) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3671172 0.83 CFB (0.36) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3671371 0.83 KCNA5 (0.33) CFBADRB2ADRB1ADRB3FAAH
SCHEMBL3415731 0.83 TAAR1 (0.43) CFBTAAR1SLC6A2SLC6A4OPRM1
SCHEMBL3668515 0.82 CFB (0.33) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3668500 0.81 CFB (0.35) CFBTAAR1ADRB2ADRB1ADRB3
SCHEMBL3418092 0.78 LMNA (0.43) TAAR1ADRB2ADRB1ADRB3MAPT

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