SCHEMBL9037353

SCHEMBL9037353

CCN(CC)CCc1ccc(N=C(N)c2cccs2)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.55
NOS3 P29474 8/20 0.55
NOS2 P35228 4/20 0.54

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
SCHEMBL6961521 0.91 NOS1 (0.54) NOS1NOS3NOS2
SCHEMBL9040771 0.86 NOS3 (0.65) NOS1NOS3NOS2
Bromide SCHEMBL6962685 0.85 NOS3 (0.66) NOS1NOS3NOS2
SCHEMBL6967530 0.85 NOS1 (0.53) NOS1NOS3NOS2
SCHEMBL5378871 0.81 NOS1 (0.64) NOS1NOS3NOS2
SCHEMBL5378876 0.81 NOS1 (0.64) NOS1NOS3NOS2
SCHEMBL9038303 0.80 NOS1 (0.69) NOS1NOS3NOS2
SCHEMBL6966862 0.79 NOS1 (0.65) NOS1NOS3NOS2
SCHEMBL4484844 0.79 NOS1 (0.57) NOS1NOS3NOS2
Bromide SCHEMBL6967212 0.79 NOS1 (0.68) NOS1NOS3NOS2

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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed