SCHEMBL5209712

SCHEMBL5209712

Cc1cc(N2CCN(C(=O)NS(=O)(=O)c3ccccc3)C(C(Cc3ccc4c(c3)OCCO4)C(N)=O)C2)nc(-n2ccnc2)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.51
NOS1 P29475 3/20 0.42

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
SCHEMBL5190080 0.83 NOS2 (0.62) NOS2NOS1
SCHEMBL5192479 0.83 NOS2 (0.71) NOS2
SCHEMBL5193112 0.81 NOS2 (0.64) NOS2NOS1
SCHEMBL5190315 0.80 NOS2 (0.77) NOS2
SCHEMBL5190376 0.78 NOS2 (0.67) NOS2NOS1
SCHEMBL5193532 0.75 NOS2 (0.56) NOS2
SCHEMBL5193271 0.74 NOS2 (0.56) NOS2
SCHEMBL5195069 0.72 NOS2 (0.63) NOS2NOS1
SCHEMBL5194622 0.72 NOS2 (0.61) NOS2
SCHEMBL27413319 0.72 NOS2 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed