SCHEMBL5332784

SCHEMBL5332784

O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1COCCN1S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
FAAH O00519 5/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL14529760 0.85 HSD11B1 (0.61) HSD11B1FAAH
SCHEMBL5315648 0.85 HSD11B1 (0.61) HSD11B1FAAH
SCHEMBL14529758 0.83 HSD11B1 (0.46) HSD11B1FAAHMMP1MMP3MMP13
SCHEMBL14529610 0.82 HSD11B1 (0.46) HSD11B1CNR1FAAHMMP1MMP3
SCHEMBL5316746 0.71 ITGB1 (0.50) HSD11B1CNR1CNR2
SCHEMBL5311431 0.71 HSD11B1 (0.51) HSD11B1CNR1CNR2
SCHEMBL14529619 0.69 HSD11B1 (0.54) HSD11B1FAAH
SCHEMBL14530354 0.69 HSD11B1 (0.54) HSD11B1FAAH
SCHEMBL12640491 0.68 HCRTR1 (0.57) HSD11B1
SCHEMBL13602116 0.67 HSD11B1 (0.61) HSD11B1FAAH

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