SCHEMBL9038935

SCHEMBL9038935

NC(=Nc1ccc(CCCC(=O)N2CCCC2)cc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.49
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48

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
Iodide SCHEMBL6961838 0.99 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL6961022 0.92 NOS3 (0.51) NOS1NOS3NOS2
Iodide SCHEMBL6961665 0.90 NOS1 (0.47) NOS1NOS3NOS2
SCHEMBL6964818 0.85 HPGD (0.54) NOS1NOS3NOS2
SCHEMBL6955089 0.82 NOS3 (0.61) NOS1NOS3NOS2
SCHEMBL6968041 0.81 NOS3 (0.60) NOS1NOS3NOS2
SCHEMBL9039119 0.79 NOS3 (0.61) NOS1NOS3NOS2
SCHEMBL8391977 0.79 TPSAB1 (0.50)
Bromide SCHEMBL6967602 0.78 NOS3 (0.60) NOS1NOS3NOS2
SCHEMBL8180690 0.78 NOS3 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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