SCHEMBL6789259

SCHEMBL6789259

CCCC(C(=O)OCC)N1CCC(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)c(OC)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 1/20 0.38
MCHR1 Q99705 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL6582845 0.96 ACHE (0.39) ACHEALDH1A1LMNAHPGDL3MBTL1
SCHEMBL6583304 0.93 ACHE (0.41) ACHEALDH1A1HPGDUTS2RSLC6A4
SCHEMBL5160953 0.79 IGF1R (0.43) UTS2RROCK2ROCK1
SCHEMBL6583307 0.78 ACHE (0.44) ACHEALDH1A1UTS2RMCHR1
SCHEMBL14341052 0.77 HTR4 (0.44) ACHEUTS2R
SCHEMBL5159689 0.76 KDR (0.45) HPGDUTS2R
SCHEMBL6580849 0.75 DRD4 (0.53) ALDH1A1LMNAMCHR1ROCK2ROCK1
SCHEMBL6439903 0.75 MEN1 (0.41) ALDH1A1UTS2RUSP30TACR2TACR1
Hydrochloric Acid SCHEMBL6787079 0.75 DRD4 (0.52) ALDH1A1LMNAMCHR1ROCK2ROCK1
SCHEMBL6582988 0.75 MEN1 (0.54) L3MBTL1

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
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US disclosed