SCHEMBL9017892

SCHEMBL9017892

CN(C)C(=O)Oc1cnccc1N=CN1CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NCEH1 Q6PIU2 3/20 0.35
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9017875 1.00 ACHE (0.39) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017889 1.00 ACHE (0.39) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017879 1.00 ACHE (0.39) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017860 0.99 BCHE (0.38) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017864 0.99 BCHE (0.38) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017869 0.91 NCEH1 (0.33) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017868 0.91 NCEH1 (0.33) ACHEBCHEMAOAMAOBNCEH1
SCHEMBL9017874 0.90 GAA (0.37) NCEH1TSHRRAB9A
SCHEMBL9017878 0.90 GAA (0.37) NCEH1TSHRRAB9A
SCHEMBL9017846 0.81 RAB9A (0.38) BCHENCEH1PKMNPC1TSHR

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-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP disclosed
EP-0477903-A2 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-01 EP disclosed