Butane

Butane

SCHEMBL6989846

CCCC.O=C(O)/N=N/C(=O)O.O=C(O)N1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.51
HRH1 P35367 19/20 0.51
KCNH2 Q12809 11/20 0.48

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
SCHEMBL5109347 0.88 HRH1 (0.61) CCR3HRH1KCNH2
SCHEMBL4718927 0.81 HRH1 (0.72) CCR3HRH1KCNH2
SCHEMBL6242779 0.81 HRH1 (0.72) CCR3HRH1KCNH2
SCHEMBL20570794 0.78 HRH1 (0.50) CCR3HRH1KCNH2
SCHEMBL10606839 0.78 HRH1 (0.58) CCR3HRH1KCNH2
SCHEMBL215117 0.77 HRH1 (0.49) CCR3HRH1KCNH2
SCHEMBL27900147 0.77 HRH1 (0.49) CCR3HRH1KCNH2
SCHEMBL22462743 0.77 HRH1 (0.49) CCR3HRH1KCNH2
SCHEMBL14413679 0.76 HRH1 (0.57) CCR3HRH1KCNH2
SCHEMBL21722932 0.76 HRH1 (0.48) CCR3HRH1KCNH2

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-1289956-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092227-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-06 WO disclosed