SCHEMBL3666286

SCHEMBL3666286

c1ccc(C(CNC2=NCCO2)c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.43
CFTR P13569 2/20 0.41
GOPC Q9HD26 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KCNA5 P22460 3/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL3674930 0.85 KCNA5 (0.45) SMN1; SMN2ALDH1A1KCNA5KDM4ECYP3A4
SCHEMBL3674513 0.83 P2RX7 (0.42) SLC6A3SLC6A2SLC6A4ALDH1A1KCNA5
SCHEMBL3414027 0.78 CFB (0.39) SLC6A2SLC6A4OPRM1OPRD1ADRA2A
SCHEMBL3415731 0.73 TAAR1 (0.43) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL1156686 0.73 CYP1A2 (0.56) CFTRGOPCSMN1; SMN2KDM4ECYP3A4
SCHEMBL3673071 0.72 ADRA2A (0.47) KCNA5ADRA2A
SCHEMBL3411857 0.72 CFB (0.36) ADRA2AADRA2BADRA2C
SCHEMBL3415420 0.71 ADRA2A (0.41) SLC6A3SLC6A2SLC6A4MAPTOPRM1
SCHEMBL9129451 0.70 SLC6A3 (0.53) SLC6A3CFTRGOPCSLC6A2SLC6A4
SCHEMBL3671371 0.68 KCNA5 (0.33) KCNA5

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-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed