SCHEMBL14237015

SCHEMBL14237015

O=S(=O)(c1ccc(F)c(Cl)c1)C(C1CCCNC1)N1CCc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HTR6 P50406 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.35
HTR2C P28335 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
PRMT5 O14744 1/20 0.33

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
Hydrochloric Acid SCHEMBL1627340 0.99 MAPT (0.40) MAPTHTR6MEN1KMT2ATP53
SCHEMBL1629614 0.89 MEN1 (0.50) MAPTHTR6MEN1KMT2ATP53
SCHEMBL14237121 0.89 MAPT (0.43) MAPTHTR6MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL1625092 0.88 MAPT (0.42) MAPTHTR6MEN1KMT2ATP53
SCHEMBL14237000 0.87 HTR6 (0.35) MAPTHTR6KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL1626847 0.86 HTR6 (0.35) MAPTHTR6KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL14237085 0.85 HTR6 (0.35) MAPTHTR6KMT2ALMNAALDH1A1
SCHEMBL14236989 0.84 MCOLN2 (0.41) HTR6MEN1KMT2ALMNAHPGD
Hydrochloric Acid SCHEMBL1626825 0.83 MCOLN2 (0.40) MAPTHTR6MEN1KMT2ALMNA
SCHEMBL14236980 0.83 L3MBTL1 (0.41) HTR6KMT2AALDH1A1HTTNPSR1

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-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP claimed