SCHEMBL5193336

SCHEMBL5193336

COc1ccc(C(C)NC(=O)CC2CN(C(=O)c3cccnc3)CCN2c2cc(Cl)nc(-n3ccnc3)n2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.44
POLB P06746 1/20 0.38

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
SCHEMBL5192812 0.96 NOS2 (0.44) NOS2
SCHEMBL5192750 0.92 NOS2 (0.43) NOS2POLB
SCHEMBL5189720 0.91 NOS2 (0.54) NOS2
SCHEMBL7245381 0.91 NOS2 (0.47) NOS2
SCHEMBL5192337 0.90 NOS2 (0.43) NOS2
SCHEMBL5191910 0.90 NOS2 (0.48) NOS2
SCHEMBL5193446 0.89 NOS2 (0.55) NOS2
SCHEMBL5191788 0.88 NOS2 (0.45) NOS2
SCHEMBL5194993 0.88 NOS2 (0.46) NOS2
SCHEMBL5190381 0.87 NOS2 (0.48) 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 2 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-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 EP disclosed