SCHEMBL5212302

SCHEMBL5212302

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTR4 Q13639 5/20 0.45
ALOX15 P16050 1/20 0.41
DRD2 P14416 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
BCHE P06276 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5215761 0.90 ALOX15 (0.52) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5216679 0.89 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5215957 0.89 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5217099 0.87 HTR4 (0.48) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5214681 0.86 HTR4 (0.46) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5216773 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5306262 0.85 HTR4 (0.46) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5219357 0.83 HTR4 (0.50) SMN1; SMN2ALDH1A1GAAHTR4ALOX15
SCHEMBL5215111 0.82 HTR4 (0.46) ALDH1A1HTR4
SCHEMBL5304656 0.80 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 5 patents. 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
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO disclosed