SCHEMBL7740427

SCHEMBL7740427

CCSC(N)=Nc1ccc(-n2cccn2)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 18/20 0.38
NOS3 P29474 16/20 0.38
NOS2 P35228 16/20 0.38
SYK P43405 1/20 0.36

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
SCHEMBL7740476 0.85 NOS1 (0.38) NOS1NOS3NOS2
SCHEMBL7740426 0.82 PDK1 (0.40) SYK
SCHEMBL7734201 0.82 SYK (0.33) NOS1NOS3NOS2SYK
SCHEMBL7739660 0.80 NOS3 (0.45) NOS1NOS3NOS2
SCHEMBL7740424 0.80 MEN1 (0.36) SYK
Hydrochloric Acid SCHEMBL7740468 0.79 NOS3 (0.46) NOS1NOS3NOS2
SCHEMBL7740422 0.77 SYK (0.40) SYK
SCHEMBL7740478 0.74 SYK (0.37) SYK
SCHEMBL7734198 0.71 TSHR (0.34) SYK
SCHEMBL7742144 0.70 NOS1 (0.42) 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
US-6414005-B1 BRAIN DISORDERS; ALZHEIMER'S DISEASE; PARKINSON'S DISEASE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-02 US disclosed
EP-1043312-A1 HETEROCYCLIC COMPOUNDS HAVING NOS INHIBITORY ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-11 EP disclosed