SCHEMBL5190397

SCHEMBL5190397

COc1ccc(C(C)NC(=O)C2CN(c3ccnc(-n4ccnc4)n3)CCO2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.47
ACACB O00763 13/20 0.45
MTOR P42345 1/20 0.42
ALK Q9UM73 2/20 0.41
IGF1R P08069 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5192204 0.90 NOS2 (0.44) NOS2POLB
SCHEMBL5194534 0.90 ACACB (0.52) ACACB
SCHEMBL5192349 0.88 NOS2 (0.46) NOS2ACACB
SCHEMBL5193161 0.88 NOS2 (0.49) NOS2
SCHEMBL5191688 0.87 NOS2 (0.51) NOS2ACACBALKIGF1R
SCHEMBL5190408 0.83 NOS2 (0.61) NOS2ALK
SCHEMBL5190457 0.82 NOS2 (0.54) NOS2ACACB
SCHEMBL5190216 0.81 NOS2 (0.45) NOS2ACACBPOLB
SCHEMBL5190602 0.79 NOS2 (0.61) NOS2
SCHEMBL5192064 0.79 NOS2 (0.51) NOS2

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