SCHEMBL5283022

SCHEMBL5283022

CS(=O)(=O)c1ccc(N2CCN(C(=O)O)CC2)cc1NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
LMNA P02545 3/20 0.45
RECQL P46063 2/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ENPP2 Q13822 1/20 0.42
HTR6 P50406 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL1748342 0.87 SMN1; SMN2 (0.52) MAPTLMNARECQLPOLBBLM
SCHEMBL1748256 0.84 HTR6 (0.54) MAPTLMNARECQLPOLBBLM
Hydrochloric Acid SCHEMBL1748665 0.83 HTR6 (0.53) MAPTLMNARECQLPOLBBLM
SCHEMBL5280148 0.78 ACLY (0.43) MAPTLMNARECQLPOLBHTT
Tert-Butyl Formate SCHEMBL27915001 0.77 HTR6 (0.49) MAPTLMNARECQLPOLBBLM
SCHEMBL1748293 0.72 ADRA1A (0.54) ADRA2CADRA1DADRA1AADRA1BACLY
SCHEMBL21295182 0.71 KCNQ2 (0.43) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7048785 0.71 HTR6 (0.72) MAPTHTR6ALDH1A1NPSR1MAPK1
SCHEMBL1748702 0.70 SMN1; SMN2 (0.50) MAPTLMNAHTTCYP2C19ENPP2
SCHEMBL5021177 0.70 HTR6 (0.59) MAPTLMNARECQLPOLBBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed