SCHEMBL8543728

SCHEMBL8543728

Cc1cn(NCCCc2ccncc2F)c2ccc(N(Cc3ccccc3)C(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
ACHE P22303 1/20 0.43
QPCT Q16769 9/20 0.38
KDM4C Q9H3R0 3/20 0.35
KDM6B O15054 2/20 0.35
RAB9A P51151 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PDK1 Q15118 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
SCHEMBL8543079 0.89 BCHE (0.45) BCHEACHEQPCTKDM4CKDM6B
SCHEMBL8544660 0.88 BCHE (0.43) BCHEACHEQPCTKDM4C
SCHEMBL8544184 0.87 BCHE (0.43) BCHEACHEQPCTKDM4CKDM6B
SCHEMBL8541781 0.82 BCHE (0.37) BCHEACHEKDM4CKDM6B
SCHEMBL8543195 0.81 BCHE (0.61) BCHEACHERAB9A
SCHEMBL7620284 0.81 BCHE (0.43) BCHEACHERAB9A
SCHEMBL7616001 0.80 BCHE (0.44) BCHEACHE
SCHEMBL8539757 0.79 ACHE (0.68) BCHEACHERAB9A
SCHEMBL8543795 0.75 BCHE (0.64) BCHEACHE
SCHEMBL8537924 0.74 BCHE (0.60) 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