SCHEMBL5452294

SCHEMBL5452294

Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ITGB1 P05556 8/20 0.48
ITGA4 P13612 8/20 0.48
ITGB7 P26010 1/20 0.48
HSD11B1 P28845 5/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 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
SCHEMBL14529617 0.84 RAB9A (0.51) TSHRLMNAPOLB
SCHEMBL14529950 0.84 ITGB1 (0.44) GAAHPGDITGB1ITGA4ITGB7
SCHEMBL14529625 0.83 TSHR (0.45) GAAHPGDITGB1ITGA4ITGB7
SCHEMBL12640491 0.83 HCRTR1 (0.57) HPGDITGB1ITGA4ITGB7HSD11B1
SCHEMBL14529605 0.82 ITGB1 (0.53) ITGB1ITGA4ITGB7HSD11B1TSHR
SCHEMBL5345940 0.81 TSHR (0.62) GAAITGB1ITGA4ITGB7HSD11B1
SCHEMBL5345936 0.81 TSHR (0.62) GAAITGB1ITGA4ITGB7HSD11B1
SCHEMBL5332792 0.81 HSD11B1 (0.53) ITGB1ITGA4ITGB7HSD11B1
SCHEMBL14529947 0.81 HSD11B1 (0.53) ITGB1ITGA4ITGB7HSD11B1
SCHEMBL14529964 0.80 HSD11B1 (0.65) ITGB1ITGA4ITGB7HSD11B1HCRTR1

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