SCHEMBL3665641

SCHEMBL3665641

Cc1cncc(C(CNC2=NCCO2)c2cccc(F)c2F)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA1A P35348 2/20 0.33
IDH1 O75874 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTSA P10619 2/20 0.31
CFB P00751 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
SCHEMBL3672714 0.90 IDH1 (0.32) IDH1
SCHEMBL3670065 0.86 TAAR1 (0.38) ADRA2AADRA1ATAAR1CFB
SCHEMBL3669311 0.84 CFB (0.36) ADRA2AADRA1ATAAR1CTSACFB
SCHEMBL3668500 0.80 CFB (0.35) ADRA2AADRA1ATAAR1CFB
SCHEMBL3673071 0.79 ADRA2A (0.47) ADRA2AADRA1ATAAR1
SCHEMBL1157005 0.76 GRIN1 (0.35) ADRA2AADRA1AIDH1TAAR1CTSA
SCHEMBL3671320 0.76 TAAR1 (0.40) ADRA2AADRA1ATAAR1CTSA
SCHEMBL3673459 0.73 P2RX7 (0.41) CFB
SCHEMBL3411857 0.73 CFB (0.36) ADRA2AADRA1ATAAR1CFB
SCHEMBL3804488 0.72 TAAR1 (0.40) ADRA2AADRA1ATAAR1CTSACFB

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