SCHEMBL361881

SCHEMBL361881

O=c1cc(NC2CCN(Cc3ccc(O)c(O)c3)CC2)c2cc(Cl)ccc2o1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.75
KCNH2 Q12809 5/20 0.74
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 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
SCHEMBL6187685 0.91 MCHR1 (0.81) MCHR1KCNH2ALDH1A1TSHR
SCHEMBL6185807 0.86 MCHR1 (0.72) MCHR1KCNH2ALDH1A1TSHR
SCHEMBL6307274 0.86 MCHR1 (0.75) MCHR1KCNH2ALDH1A1TSHR
SCHEMBL6188454 0.86 MCHR1 (0.71) MCHR1KCNH2ALDH1A1TSHR
SCHEMBL6314274 0.86 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL6313161 0.85 MCHR1 (0.79) MCHR1KCNH2ALDH1A1TSHR
SCHEMBL2669488 0.85 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL6187989 0.84 MCHR1 (0.77) MCHR1KCNH2ALDH1A1TSHR
SCHEMBL6205835 0.83 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL6308416 0.83 MCHR1 (0.86) MCHR1KCNH2

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-2240474-B1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-03-14 EP disclosed
EP-2183222-B1 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI SA (FR) 2011-08-03 EP disclosed