SCHEMBL5216773

SCHEMBL5216773

CC(C)CN1CCN(S(=O)(=O)CCCN2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
DRD2 P14416 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR4 Q13639 6/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL5217099 0.86 HTR4 (0.48) SMN1; SMN2ALDH1A1GAADRD2HRH1
SCHEMBL5216679 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAADRD2HRH1
SCHEMBL5215957 0.86 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAADRD2HRH1
SCHEMBL5212302 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAADRD2HRH1
SCHEMBL5215761 0.85 ALOX15 (0.52) SMN1; SMN2ALDH1A1GAAALOX15HTR4
SCHEMBL5214681 0.81 HTR4 (0.46) SMN1; SMN2ALDH1A1GAAALOX15HTR4
SCHEMBL4732168 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1GAAMAPTPIK3CD
SCHEMBL5306262 0.80 HTR4 (0.46) SMN1; SMN2ALDH1A1GAADRD2HRH1
SCHEMBL5219357 0.78 HTR4 (0.50) SMN1; SMN2ALDH1A1GAAALOX15HTR4
SCHEMBL5304656 0.75 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1GAAHTR4LMNA

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
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed