SCHEMBL5211128

SCHEMBL5211128

COc1ccc(C(C)NC(=O)C2CN(c3cc(C)nc(-n4ccnc4)n3)CCN2Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 19/20 0.58
NOS1 P29475 2/20 0.48
MCHR1 Q99705 1/20 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
SCHEMBL5193371 0.89 NOS2 (0.66) NOS2NOS1
SCHEMBL5211134 0.88 NOS2 (0.65) NOS2NOS1
SCHEMBL6324458 0.88 NOS2 (0.70) NOS2NOS1
SCHEMBL5190289 0.84 NOS2 (0.74) NOS2NOS1
SCHEMBL5194288 0.83 NOS2 (0.65) NOS2NOS1
SCHEMBL5189863 0.82 NOS2 (0.82) NOS2NOS1
SCHEMBL5190492 0.81 NOS2 (0.74) NOS2NOS1
SCHEMBL5190216 0.81 NOS2 (0.45) NOS2
SCHEMBL5191345 0.80 NOS2 (0.70) NOS2NOS1
SCHEMBL5193325 0.79 NOS2 (0.66) NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP disclosed