SCHEMBL3668500

SCHEMBL3668500

Cc1cncc(C(CNC2=NCCO2)c2cccc(Cl)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA1A P35348 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
AOC3 Q16853 1/20 0.31
RPS6KB1 P23443 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
SCHEMBL3415420 0.87 ADRA2A (0.41) CFBADRA2AADRA1ATAAR1TP53
SCHEMBL3673071 0.87 ADRA2A (0.47) ADRA2AADRA1ATAAR1AOC3
SCHEMBL3414027 0.85 CFB (0.39) CFBADRA2ATAAR1ADRB2ADRB1
SCHEMBL3671172 0.84 CFB (0.36) CFBADRA2AADRA1ATAAR1POLB
SCHEMBL3669311 0.84 CFB (0.36) CFBADRA2AADRA1ATAAR1
SCHEMBL3668515 0.82 CFB (0.33) CFBADRA2AADRA1ATAAR1ADRB2
SCHEMBL3670065 0.81 TAAR1 (0.38) CFBADRA2AADRA1ATAAR1TP53
SCHEMBL3672607 0.81 P2RX7 (0.35) CFBADRA2ATAAR1ADRB2ADRB1
SCHEMBL3433522 0.81 CFB (0.41) CFBADRA2AADRA1ATAAR1TP53
SCHEMBL3665641 0.80 ADRA2A (0.33) CFBADRA2AADRA1ATAAR1

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