SCHEMBL4433079

SCHEMBL4433079

O=Cc1c[nH]c2c(C(=O)N3CCN(C(=O)O)CC3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PIM1 P11309 5/20 0.46
PIM3 Q86V86 5/20 0.46
KDR P35968 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1D P28221 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2215173 0.83 POLB (0.52) HRH3TRIM24TRIM33PIM1PIM3
SCHEMBL2220800 0.79 TRIM24 (0.58) TRIM24TRIM33PIM1PIM3HTT
SCHEMBL29950729 0.79 TRIM24 (0.58) TRIM24TRIM33PIM1PIM3HTT
SCHEMBL5276777 0.79 HTR2A (0.72) HRH3HTR2AHTR2CDRD4SLC6A2
Hydrochloric Acid SCHEMBL27498823 0.78 HTR2A (0.70) HRH3HTR2AHTR2CDRD4SLC6A2
SCHEMBL4433508 0.73 HRH3 (0.80) HRH3HTTMAPK14USP2
SCHEMBL5415543 0.71 PIM1 (0.81) TRIM24TRIM33PIM1PIM3TSHR
SCHEMBL3582934 0.70 ALDH1A1 (0.68) TSHRHTTALDH1A1USP2
SCHEMBL29955386 0.69 TRIM24 (0.66) TRIM24TRIM33PIM1PIM3PIM2
SCHEMBL29954763 0.69 TRIM24 (0.70) TRIM24TRIM33PIM1PIM3PIM2

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-2125720-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
WO-2008109333-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed