SCHEMBL3674513

SCHEMBL3674513

Clc1cccc(C(CNC2=NCCO2)c2cccnc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.42
KCNA5 P22460 5/20 0.38
KCNH2 Q12809 3/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
POLB P06746 4/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL3673459 0.86 P2RX7 (0.41) P2RX7
SCHEMBL3669311 0.85 CFB (0.36) P2RX7
SCHEMBL3666286 0.83 SLC6A3 (0.43) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3468595 0.81 HSD17B10 (0.48) P2RX7KCNA5KCNH2SLC6A2SLC6A4
SCHEMBL3411857 0.78 CFB (0.36) P2RX7
SCHEMBL3674930 0.77 KCNA5 (0.45) KCNA5CYP2D6ALDH1A1THRBMAPT
SCHEMBL1156800 0.74 DRD2 (0.37) P2RX7KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3671371 0.74 KCNA5 (0.33) KCNA5POLB
SCHEMBL2472266 0.72 KCNA5 (0.47) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3671172 0.72 CFB (0.36) SLC6A2SLC6A4POLB

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