SCHEMBL6961022

SCHEMBL6961022

CN1CCN(C(=O)CCCc2ccc(N=C(N)c3cccs3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.51
NOS1 P29475 11/20 0.49
NOS2 P35228 7/20 0.46

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
SCHEMBL9038935 0.92 NOS1 (0.49) NOS3NOS1NOS2
Iodide SCHEMBL6961838 0.91 NOS1 (0.48) NOS3NOS1NOS2
Iodide SCHEMBL6961665 0.88 NOS1 (0.47) NOS3NOS1NOS2
SCHEMBL6955089 0.78 NOS3 (0.61) NOS3NOS1NOS2
SCHEMBL6964818 0.77 HPGD (0.54) NOS3NOS1NOS2
SCHEMBL6968041 0.77 NOS3 (0.60) NOS3NOS1NOS2
SCHEMBL6966986 0.76 NOS1 (0.64) NOS3NOS1NOS2
SCHEMBL9039119 0.75 NOS3 (0.61) NOS3NOS1NOS2
SCHEMBL6965844 0.75 USP2 (0.55) NOS3NOS1NOS2
SCHEMBL6962660 0.74 NOS1 (0.59) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed