SCHEMBL8539192

SCHEMBL8539192

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.33
BCHE P06276 2/20 0.31
NTSR1 P30989 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPT P10636 2/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ACHE P22303 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
SCHEMBL8544202 0.88 BCHE (0.36) BCHEKDM4CITGB3ITGAVACHE
Hydrochloric Acid SCHEMBL8543739 0.88 BCHE (0.35) BCHEKDM4CITGB3ITGAVACHE
SCHEMBL8546113 0.86 BCHE (0.34) BCHEKDM4C
Hydrochloric Acid SCHEMBL8541330 0.85 BCHE (0.34) BCHEKDM4C
SCHEMBL8544660 0.84 BCHE (0.43) ORAI1BCHEKDM4CACHE
SCHEMBL8546208 0.81 MAPT (0.36) MAPT
Hydrochloric Acid SCHEMBL8539622 0.80 MAPT (0.35) MAPT
SCHEMBL8539327 0.80 BCHE (0.49) BCHEMAPTITGB3ITGAVACHE
SCHEMBL9738844 0.77 BCHE (0.51) BCHEACHE
Hydrochloric Acid SCHEMBL9671993 0.76 BCHE (0.50) BCHEACHE

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