SCHEMBL5192204

SCHEMBL5192204

COc1ccc(C(C)NC(=O)C2CN(c3cc(C)nc(-n4ccnc4)n3)CCO2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 16/20 0.44
POLB P06746 1/20 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
SCHEMBL5190216 0.91 NOS2 (0.45) NOS2POLB
SCHEMBL5190397 0.90 NOS2 (0.47) NOS2POLB
SCHEMBL5192064 0.88 NOS2 (0.51) NOS2
SCHEMBL5191340 0.87 NOS2 (0.56) NOS2
SCHEMBL5193421 0.87 POLB (0.42) NOS2POLB
SCHEMBL5192983 0.84 NOS2 (0.48) NOS2POLB
SCHEMBL5192213 0.84 NOS2 (0.54) NOS2
SCHEMBL5192686 0.82 NOS2 (0.45) NOS2POLB
SCHEMBL5189904 0.81 NOS2 (0.51) NOS2POLB
SCHEMBL5194534 0.80 ACACB (0.52)

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-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP claimed
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP disclosed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 EP disclosed