SCHEMBL5212778

SCHEMBL5212778

NC(=O)C1CCN(CCCS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
PKM P14618 2/20 0.48
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KCNH2 Q12809 1/20 0.45
BLM P54132 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5248036 0.87 HTR4 (0.54) HTR4ALDH1A1GAASMN1; SMN2POLB
SCHEMBL5212781 0.85 L3MBTL1 (0.56) HTR4L3MBTL1ALDH1A1PKMCHRNB2
SCHEMBL5212302 0.79 SMN1; SMN2 (0.50) HTR4ALDH1A1GAASMN1; SMN2POLB
SCHEMBL5215761 0.78 ALOX15 (0.52) HTR4ALDH1A1GAASMN1; SMN2
SCHEMBL5215957 0.77 SMN1; SMN2 (0.60) HTR4ALDH1A1GAASMN1; SMN2
SCHEMBL5214681 0.77 HTR4 (0.46) HTR4L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5216679 0.77 SMN1; SMN2 (0.49) HTR4ALDH1A1GAASMN1; SMN2
SCHEMBL5306262 0.75 HTR4 (0.46) HTR4L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5217099 0.75 HTR4 (0.48) HTR4ALDH1A1GAAEPHX2SMN1; SMN2
SCHEMBL5216773 0.74 SMN1; SMN2 (0.42) HTR4ALDH1A1GAASMN1; SMN2

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 4 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-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP claimed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO claimed
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed