SCHEMBL5315701

SCHEMBL5315701

N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.49
ITGB1 P05556 11/20 0.46
ITGA4 P13612 11/20 0.46
ITGB7 P26010 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44

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
SCHEMBL14529766 0.85 ITGB1 (0.42) HSD11B1ITGB1ITGA4ITGB7MAPT
SCHEMBL14529959 0.85 ITGB1 (0.43) HSD11B1ITGB1ITGA4ITGB7MAPT
SCHEMBL14529964 0.84 HSD11B1 (0.65) HSD11B1ITGB1ITGA4ITGB7HCRTR1
SCHEMBL14529616 0.84 HSD11B1 (0.65) HSD11B1ITGB1ITGA4ITGB7HCRTR1
SCHEMBL12640491 0.81 HCRTR1 (0.57) HSD11B1ITGB1ITGA4ITGB7MAPT
SCHEMBL14529605 0.78 ITGB1 (0.53) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL14529947 0.77 HSD11B1 (0.53) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL5332792 0.77 HSD11B1 (0.53) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL5314816 0.76 HSD11B1 (0.53) HSD11B1ITGB1ITGA4ITGB7HCRTR1
SCHEMBL5345940 0.75 TSHR (0.62) HSD11B1ITGB1ITGA4ITGB7SMN1; SMN2

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