SCHEMBL9192064

SCHEMBL9192064

Nc1ccncc1N1CCc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.62
GRIN2D O15399 11/20 0.55
GRIN3B O60391 11/20 0.55
GRIN1 Q05586 11/20 0.55
GRIN2A Q12879 11/20 0.55
GRIN2B Q13224 11/20 0.55
GRIN2C Q14957 11/20 0.55
GRIN3A Q8TCU5 11/20 0.55
CHRM1 P11229 4/20 0.50
ADRA1D P25100 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
NUDT1 P36639 1/20 0.49
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6784527 0.88 EED (0.62) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29979114 0.80 GRIN2D (0.59) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23043587 0.80 GRIN2D (0.59) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9193973 0.78 ROCK1 (0.50) EED
SCHEMBL6441852 0.77 EED (1.00) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2767612 0.76 MAPT (0.55) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29761207 0.76 MAPT (0.50) CYP3A4
SCHEMBL3592765 0.73 MAPT (0.58) EEDNUDT1CYP3A4
SCHEMBL9195257 0.73 ROCK1 (0.52) NUDT1
SCHEMBL16039371 0.72 ADRA2C (0.58) CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428878-B1 Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-06-07 EP claimed
EP-0428878-A2 Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-05-29 EP claimed
US-4992448-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-12 US claimed
EP-0428878-B1 Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-06-07 EP disclosed
US-5037835-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
EP-0428878-A2 Benzocycloalkylaminopyridinamines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-05-29 EP disclosed
US-4992448-A Benzocycloalkylaminopyridinamines and related compounds as topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-12 US disclosed