SCHEMBL5190777

SCHEMBL5190777

CC(NC(=O)C1CCCCCN1c1ccnc(-n2ccnc2)n1)c1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.59
HTT P42858 2/20 0.51

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
SCHEMBL5193037 0.97 NOS2 (0.63) NOS2HTT
SCHEMBL5193567 0.95 NOS2 (0.65) NOS2
SCHEMBL5192680 0.92 NOS2 (0.69) NOS2
SCHEMBL5191677 0.92 NOS2 (0.62) NOS2HTT
SCHEMBL5190610 0.88 NOS2 (0.65) NOS2HTT
SCHEMBL5193873 0.88 NOS2 (0.67) NOS2
SCHEMBL5194321 0.87 NOS2 (0.59) NOS2HTT
SCHEMBL5190602 0.86 NOS2 (0.61) NOS2
SCHEMBL5193046 0.86 NOS2 (0.69) NOS2HTT
SCHEMBL5193231 0.85 NOS2 (0.62) 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