SCHEMBL8544657

SCHEMBL8544657

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.72
SLC6A2 P23975 6/20 0.46
SMO Q99835 2/20 0.37
ACHE P22303 1/20 0.36
NPY5R Q15761 2/20 0.36
S1PR3 Q99500 3/20 0.34
KDM4C Q9H3R0 1/20 0.33
ROCK2 O75116 1/20 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
SCHEMBL8543077 0.89 BCHE (0.68) BCHESLC6A2ACHE
SCHEMBL8544182 0.88 BCHE (0.67) BCHESLC6A2ACHE
SCHEMBL8543035 0.86 SLC6A2 (0.64) BCHESLC6A2NPY5R
SCHEMBL8539188 0.84 BCHE (0.55) BCHESLC6A2SMO
SCHEMBL7609605 0.83 BCHE (0.68) BCHESLC6A2ACHE
SCHEMBL8543076 0.81 BCHE (0.66) BCHESLC6A2ACHEKDM4C
SCHEMBL8539754 0.80 BCHE (1.00) BCHESLC6A2ACHEKDM4C
Nerispirdine SCHEMBL3842518 0.80 SLC6A2 (0.67) BCHESLC6A2
Nerispirdine SCHEMBL29379158 0.80 SLC6A2 (0.67) BCHESLC6A2
SCHEMBL8543725 0.80 BCHE (0.63) BCHESLC6A2ACHEROCK2

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