SCHEMBL8544182

SCHEMBL8544182

CCCN(c1ccncc1F)n1cc(C)c2cc(CCCCCCCNC(=O)O)ccc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.67
SLC6A2 P23975 4/20 0.40
ACHE P22303 1/20 0.34
S1PR1 P21453 1/20 0.33
PTAFR P25105 3/20 0.32
ASAH1 Q13510 2/20 0.32
NAMPT P43490 2/20 0.32
TBXAS1 P24557 2/20 0.32

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
SCHEMBL8543077 0.99 BCHE (0.68) BCHESLC6A2ACHEPTAFRASAH1
SCHEMBL8544657 0.88 BCHE (0.72) BCHESLC6A2ACHE
SCHEMBL8543976 0.87 SLC6A2 (0.54) BCHESLC6A2
SCHEMBL8546112 0.87 BCHE (0.52) BCHESLC6A2S1PR1ASAH1NAMPT
SCHEMBL8544814 0.86 SLC6A2 (0.55) BCHESLC6A2
SCHEMBL8544200 0.86 BCHE (0.53) BCHESLC6A2S1PR1ASAH1NAMPT
Hydrochloric Acid SCHEMBL8543736 0.85 BCHE (0.52) BCHESLC6A2S1PR1ASAH1NAMPT
SCHEMBL8537919 0.82 BCHE (0.94) BCHEACHE
SCHEMBL8543791 0.80 BCHE (1.00) BCHESLC6A2ACHE
SCHEMBL8544179 0.79 BCHE (0.64) BCHESLC6A2ACHE

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-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed