SCHEMBL8546112

SCHEMBL8546112

CCCN(c1ccncc1F)n1ccc2cc(CCCCCCCNC(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.52
S1PR1 P21453 1/20 0.42
SLC6A2 P23975 7/20 0.40
OXER1 Q8TDS5 2/20 0.38
SMO Q99835 1/20 0.35
ASAH1 Q13510 2/20 0.33
NAMPT P43490 2/20 0.33

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
SCHEMBL8544200 0.99 BCHE (0.53) BCHES1PR1SLC6A2OXER1SMO
Hydrochloric Acid SCHEMBL8543736 0.98 BCHE (0.52) BCHES1PR1SLC6A2OXER1SMO
SCHEMBL8539188 0.89 BCHE (0.55) BCHESLC6A2SMO
SCHEMBL8544182 0.87 BCHE (0.67) BCHES1PR1SLC6A2ASAH1NAMPT
SCHEMBL8543077 0.86 BCHE (0.68) BCHESLC6A2ASAH1NAMPT
SCHEMBL8544945 0.85 SLC6A2 (0.57) S1PR1SLC6A2OXER1
SCHEMBL8543277 0.82 SLC6A2 (0.58) S1PR1SLC6A2OXER1
SCHEMBL9738698 0.81 BCHE (0.70) BCHESLC6A2
Hydrochloric Acid SCHEMBL9671917 0.80 BCHE (0.69) BCHESLC6A2
SCHEMBL8544593 0.79 SLC6A2 (0.59) S1PR1SLC6A2

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-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