SCHEMBL3695685

SCHEMBL3695685

COc1cccc2c(C(O)CN3CCOC(CNC(C4=CC=CCC4)C4=COC=CO4)C3)ccnc12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.30

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
SCHEMBL5651077 0.86 KCNH2 (0.43)
SCHEMBL3686883 0.86 KCNH2 (0.34)
SCHEMBL5438016 0.85 KCNH2 (0.42)
SCHEMBL5254100 0.84 KCNH2 (0.36)
SCHEMBL3697776 0.78 SLC2A1 (0.38)
SCHEMBL5262026 0.78 KCNH2 (0.32)
SCHEMBL5430616 0.77 SLC2A1 (0.33)
SCHEMBL3691984 0.75 DRD4 (0.40) DRD4
SCHEMBL5942923 0.74 SLC2A1 (0.33)
SCHEMBL5943183 0.74 SLC2A1 (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed