SCHEMBL5553816

SCHEMBL5553816

O=C1C(CS(=O)(=O)c2ccccc2)CCN1C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.63
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTR7 P34969 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2986964 0.77 HSD11B1 (1.00) HSD11B1CRBNALDH1A1GAASMN1; SMN2
SCHEMBL3878986 0.75 HSD11B1 (0.74) HSD11B1ALDH1A1SMN1; SMN2TP53
SCHEMBL2999199 0.74 HSD11B1 (0.54) HSD11B1ALDH1A1GAAMAPTKDM4E
SCHEMBL3542808 0.73 HSD11B1 (0.84) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3882511 0.73 HSD11B1 (0.71) HSD11B1ALDH1A1CHRM2TP53
SCHEMBL15226077 0.72 ALDH1A1 (0.56) CRBNALDH1A1GAAMAPTHTR7
SCHEMBL4509642 0.72 HSD11B1 (0.61) HSD11B1ALDH1A1GAARAB9ANPC1
SCHEMBL3543212 0.71 HSD11B1 (0.68) HSD11B1ALDH1A1GAAMAPTPOLB
SCHEMBL3551976 0.71 HSD11B1 (0.67) HSD11B1ALDH1A1MAPTHTR7KDM4E
SCHEMBL4523599 0.71 HSD11B1 (0.67) HSD11B1ALDH1A1CHRM2CHRM1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP claimed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP claimed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO claimed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed