SCHEMBL8544202

SCHEMBL8544202

CCCCN(C(=O)O)c1ccc2c(ccn2NCCCc2ccncc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.36
KDM4C Q9H3R0 4/20 0.33
KDM6B O15054 1/20 0.32
S1PR1 P21453 2/20 0.31
SLC6A2 P23975 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ACHE P22303 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
PDE10A Q9Y233 1/20 0.30
QPCT Q16769 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
Hydrochloric Acid SCHEMBL8543739 0.99 BCHE (0.35) BCHEKDM4CKDM6BS1PR1SLC6A2
SCHEMBL8546113 0.97 BCHE (0.34) BCHEKDM4CKDM6BS1PR1PTGDR2
Hydrochloric Acid SCHEMBL8541330 0.97 BCHE (0.34) BCHEKDM4CKDM6BS1PR1PTGDR2
SCHEMBL8539192 0.88 ORAI1 (0.33) BCHEKDM4CITGB3ITGAVACHE
SCHEMBL8543079 0.84 BCHE (0.45) BCHEKDM4CKDM6BACHEPTGDR2
SCHEMBL8544184 0.82 BCHE (0.43) BCHEKDM4CKDM6BACHEPTGDR2
SCHEMBL9738844 0.80 BCHE (0.51) BCHEACHE
Hydrochloric Acid SCHEMBL9671993 0.79 BCHE (0.50) BCHEACHE
SCHEMBL8539327 0.79 BCHE (0.49) BCHEITGB3ITGAVACHE
SCHEMBL8546208 0.79 MAPT (0.36) SLC6A2

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