SCHEMBL7484698

SCHEMBL7484698

CC(C)N1CCOc2ccc(N=C(N)c3cccs3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 18/20 0.55
NOS1 P29475 18/20 0.55
NOS2 P35228 14/20 0.55
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7482097 0.86 NOS3 (0.71) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7481311 0.85 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL7482632 0.84 NOS3 (0.58) NOS3NOS1NOS2KCNH2
SCHEMBL7817443 0.83 NOS3 (0.76) NOS3NOS1NOS2KCNH2
Hydrochloric Acid SCHEMBL7487524 0.83 NOS3 (0.57) NOS3NOS1NOS2KCNH2
SCHEMBL7480138 0.82 NOS3 (0.58) NOS3NOS1NOS2KCNH2
SCHEMBL7484159 0.76 ALDH1A1 (0.44) NOS3NOS1NOS2
SCHEMBL7482742 0.75 NOS3 (0.68) NOS3NOS1NOS2KCNH2
Hydrochloric Acid SCHEMBL7555462 0.74 NOS3 (0.67) NOS3NOS1NOS2KCNH2
Hydrochloric Acid SCHEMBL7483122 0.74 NOS3 (0.67) NOS3NOS1NOS2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489322-B1 BENZOXAZEPINES AS SELECTIVE INHIBITORS OF THE NEURONAL ISOFORM OF NITRIC OXIDE SYNTHASE FOR TREATMENT OF NEURODEGENERATIVE DISEASE ASTRAZENECA AB (SE) 2002-12-03 US claimed
EP-0983268-B1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-0983268-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 2000-03-08 EP claimed
WO-1998050382-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1998-11-12 WO claimed
US-6489322-B1 BENZOXAZEPINES AS SELECTIVE INHIBITORS OF THE NEURONAL ISOFORM OF NITRIC OXIDE SYNTHASE FOR TREATMENT OF NEURODEGENERATIVE DISEASE ASTRAZENECA AB (SE) 2002-12-03 US disclosed
EP-0983268-B1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
EP-0983268-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 2000-03-08 EP disclosed
WO-1998050382-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1998-11-12 WO disclosed