SCHEMBL5316746

SCHEMBL5316746

O=C(O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.50
ITGA4 P13612 9/20 0.50
HSD11B1 P28845 6/20 0.50
ITGB7 P26010 1/20 0.50
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL5311431 0.91 HSD11B1 (0.51) ITGB1ITGA4HSD11B1ITGB7HCRTR1
SCHEMBL5311429 0.85 CNR2 (0.51) HSD11B1HCRTR1HCRTR2CNR1CNR2
SCHEMBL14530361 0.85 ITGB1 (0.46) ITGB1ITGA4HSD11B1ITGB7HCRTR1
SCHEMBL14529760 0.85 HSD11B1 (0.61) ITGB1ITGA4HSD11B1ITGB7
SCHEMBL5315648 0.85 HSD11B1 (0.61) ITGB1ITGA4HSD11B1ITGB7
SCHEMBL14529609 0.84 HSD11B1 (0.45) ITGB1ITGA4HSD11B1ITGB7HCRTR1
SCHEMBL14529605 0.83 ITGB1 (0.53) ITGB1ITGA4HSD11B1ITGB7
SCHEMBL14529918 0.79 HCRTR1 (0.43) ITGB1ITGA4HSD11B1ITGB7HCRTR1
SCHEMBL12640491 0.78 HCRTR1 (0.57) ITGB1ITGA4HSD11B1ITGB7HCRTR1
SCHEMBL14529612 0.76 HSD11B1 (0.46) ITGB1ITGA4HSD11B1ITGB7HCRTR1

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
WO-2007057768-A2 SULFONYL DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed