SCHEMBL27438536

SCHEMBL27438536

O=C(CC1CN(Cc2ccc3c(c2)OCO3)CCN1c1ccnc(-n2ccnc2)n1)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.80

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
SCHEMBL5193017 0.98 NOS2 (0.77) NOS2
SCHEMBL27413895 0.93 NOS2 (0.92) NOS2
SCHEMBL5189750 0.92 NOS2 (0.69) NOS2
SCHEMBL5189939 0.92 NOS2 (0.70) NOS2
SCHEMBL5189835 0.91 NOS2 (0.74) NOS2
SCHEMBL5193009 0.91 NOS2 (0.88) NOS2
SCHEMBL5195124 0.91 NOS2 (0.68) NOS2
SCHEMBL5194655 0.90 NOS2 (0.67) NOS2
SCHEMBL5191498 0.90 NOS2 (0.66) NOS2
SCHEMBL5193249 0.89 NOS2 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN claimed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN claimed
CN-1100777-C N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2003-02-05 CN disclosed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN disclosed