SCHEMBL5217099

SCHEMBL5217099

CC(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.40
HRH1 P35367 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALOX15 P16050 1/20 0.39
BCHE P06276 1/20 0.38
HRH2 P25021 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL5212302 0.87 SMN1; SMN2 (0.50) HTR4SMN1; SMN2ALDH1A1GAAHRH1
SCHEMBL5216773 0.86 SMN1; SMN2 (0.42) HTR4SMN1; SMN2ALDH1A1GAAHRH1
SCHEMBL5215761 0.86 ALOX15 (0.52) HTR4SMN1; SMN2ALDH1A1GAAALOX15
SCHEMBL5215957 0.85 SMN1; SMN2 (0.60) HTR4SMN1; SMN2ALDH1A1GAAHRH1
SCHEMBL5216679 0.85 SMN1; SMN2 (0.49) HTR4SMN1; SMN2ALDH1A1GAAHRH1
SCHEMBL5214681 0.82 HTR4 (0.46) HTR4SMN1; SMN2ALDH1A1GAAALOX15
SCHEMBL5306262 0.81 HTR4 (0.46) HTR4SMN1; SMN2ALDH1A1GAAHRH1
SCHEMBL4728819 0.79 EPHX2 (0.56) SMN1; SMN2ALDH1A1GAAEPHX2LMNA
SCHEMBL5219357 0.79 HTR4 (0.50) HTR4SMN1; SMN2ALDH1A1GAAALOX15
SCHEMBL5214547 0.76 HTR4 (0.43) HTR4SMN1; SMN2ALDH1A1GAAALOX15

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 disclosed