SCHEMBL14237121

SCHEMBL14237121

O=S(=O)(c1ccc(F)c(Cl)c1)C(C1CCNCC1)N1CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 3/20 0.38
HTR2C P28335 6/20 0.38
LMNA P02545 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 3/20 0.36
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
P2RX7 Q99572 1/20 0.35

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 SCHEMBL1625092 0.99 MAPT (0.42) MAPTMEN1KMT2ATP53HTR2C
SCHEMBL14237015 0.89 MAPT (0.41) MAPTMEN1KMT2ATP53HTR2C
SCHEMBL14237108 0.88 MEN1 (0.53) MAPTMEN1KMT2ATP53HTR2C
Hydrochloric Acid SCHEMBL1627340 0.88 MAPT (0.40) MAPTMEN1KMT2ATP53HTR2C
Hydrochloric Acid SCHEMBL1625987 0.87 MEN1 (0.53) MAPTMEN1KMT2ATP53HTR2C
SCHEMBL14236976 0.86 KMT2A (0.36) MAPTMEN1KMT2ATP53HTR2C
Hydrochloric Acid SCHEMBL14237069 0.85 KMT2A (0.35) MAPTMEN1KMT2ATP53HTR2C
SCHEMBL14236985 0.85 KMT2A (0.37) MAPTMEN1KMT2ATP53HTR2C
Hydrochloric Acid SCHEMBL1627614 0.84 KMT2A (0.36) MAPTMEN1KMT2ATP53HTR2C
Hydrochloric Acid SCHEMBL14237064 0.82 MEN1 (0.43) MAPTMEN1KMT2AHTR2CLMNA

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