SCHEMBL13876307

SCHEMBL13876307

O=c1[nH]c2c(N3CCNCC3)ncnc2n1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.66
SLC2A3 P11169 1/20 0.66
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
USP2 O75604 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL13875888 0.87 SLC2A1 (0.53) SLC2A1SLC2A3ALDH1A1CYP1A2CYP3A4
SCHEMBL13876154 0.83 SLC2A1 (0.48) SLC2A1SLC2A3ALDH1A1CYP1A2CYP3A4
SCHEMBL13876335 0.83 SLC2A1 (0.48) SLC2A1SLC2A3ALDH1A1CYP1A2CYP3A4
SCHEMBL13875865 0.81 SLC2A1 (0.45) SLC2A1SLC2A3HTR3EHTR3BADRB1
SCHEMBL13875890 0.80 SLC2A1 (0.55) SLC2A1SLC2A3ALDH1A1CYP1A2CYP3A4
SCHEMBL13875758 0.80 SLC2A1 (0.55) SLC2A1SLC2A3ALDH1A1CYP1A2CYP3A4
SCHEMBL16759878 0.79 SLC2A1 (0.80) SLC2A1SLC2A3ALDH1A1USP2HSD17B10
SCHEMBL13875683 0.78 SLC2A1 (0.53) SLC2A1SLC2A3HTR3EHTR3BADRB1
SCHEMBL13876160 0.78 HTR2C (0.48) SLC2A1SLC2A3ALDH1A1CYP1A2CYP3A4
SCHEMBL16774836 0.74 GAA (0.50) SLC2A1SLC2A3ALDH1A1HSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed