SCHEMBL5214547

SCHEMBL5214547

CS(=O)(=O)NCC1CCN(S(=O)(=O)CCCN2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5214555 0.86 HTR4 (0.41) HTR4
SCHEMBL5219357 0.82 HTR4 (0.50) HTR4SMN1; SMN2MAPTALOX15ALDH1A1
SCHEMBL5212302 0.80 SMN1; SMN2 (0.50) HTR4SMN1; SMN2MAPTALOX15ALDH1A1
SCHEMBL5215761 0.79 ALOX15 (0.52) HTR4SMN1; SMN2MAPTALOX15ALDH1A1
SCHEMBL5215957 0.78 SMN1; SMN2 (0.60) HTR4SMN1; SMN2MAPTALOX15ALDH1A1
SCHEMBL5216679 0.78 SMN1; SMN2 (0.49) HTR4SMN1; SMN2ALOX15ALDH1A1GAA
SCHEMBL5306262 0.77 HTR4 (0.46) HTR4SMN1; SMN2ALOX15ALDH1A1GAA
SCHEMBL5217099 0.76 HTR4 (0.48) HTR4SMN1; SMN2MAPTALOX15ALDH1A1
SCHEMBL5214681 0.76 HTR4 (0.46) HTR4SMN1; SMN2ALOX15ALDH1A1GAA
SCHEMBL5216773 0.75 SMN1; SMN2 (0.42) HTR4SMN1; SMN2MAPTALOX15ALDH1A1

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