SCHEMBL8544179

SCHEMBL8544179

CCCCCCCN(C(=O)O)c1ccc2c(c1)c(C)cn2N(CCC)c1ccncc1F

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.64
SLC6A2 P23975 6/20 0.42
ACHE P22303 1/20 0.35
ICMT O60725 1/20 0.34
KDM4C Q9H3R0 3/20 0.34
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PAX8 Q06710 2/20 0.32
GPX4 P36969 1/20 0.32
JAK2 O60674 1/20 0.30

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
SCHEMBL8543076 0.96 BCHE (0.66) BCHESLC6A2ACHEICMTKDM4C
SCHEMBL8543972 0.86 SLC6A2 (0.57) BCHESLC6A2
SCHEMBL8546109 0.84 BCHE (0.48) BCHESLC6A2ICMTKDM4CNPC1
SCHEMBL8544810 0.82 SLC6A2 (0.59) BCHESLC6A2
SCHEMBL7609605 0.80 BCHE (0.68) BCHESLC6A2ACHEICMT
SCHEMBL8544197 0.80 BCHE (0.49) BCHESLC6A2KDM4C
Hydrochloric Acid SCHEMBL8543732 0.80 BCHE (0.49) BCHESLC6A2KDM4C
SCHEMBL8544657 0.80 BCHE (0.72) BCHESLC6A2ACHEKDM4C
SCHEMBL8537919 0.79 BCHE (0.94) BCHEACHE
SCHEMBL8544182 0.79 BCHE (0.67) 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