Butane

Butane

SCHEMBL6415313

CCCC.CCCC(OC(CCC)C(=O)CN)C(=O)CN

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GRIK1 P39086 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL175304 0.98 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acetic Acid SCHEMBL21196855 0.92 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27386787 0.83 GPR84 (0.39) NFKB1GRIK1SLC1A2SLC1A1GRIK2
SCHEMBL1323966 0.79 SMN1; SMN2 (0.32) TSHR
SCHEMBL446541 0.74 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
Ether SCHEMBL21196853 0.74 ALDH1A1 (0.33) TSHR
SCHEMBL29210819 0.70
SCHEMBL30782967 0.67 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21599113 0.67 CYP1A2 (0.33) PPARA
SCHEMBL11397007 0.65 TDP1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-20050102831-A1 Process for manufacturing a wiring substrate NGK SPARK PLUG CO., LTD. (JP) 2005-05-19 US disclosed