SCHEMBL21974639

SCHEMBL21974639

CCCCCCCCC1(C)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.40
▸ CNR1 P21554 5/20 0.37
▸ PDK2 Q15119 4/20 0.34
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTR7 P34969 1/20 0.31

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
SCHEMBL15159199 0.91 CNR2 (0.41) CNR2CNR1PDK2PSEN1PSEN2
SCHEMBL21974941 0.87 PDK2 (0.41) CNR2PDK2
SCHEMBL13781104 0.84 PDK2 (0.43) CNR2PDK2
SCHEMBL364863 0.84 PDK2 (0.43) CNR2PDK2
SCHEMBL13781092 0.82 PDK2 (0.39) CNR2CNR1PDK2
SCHEMBL13781091 0.81 PDK2 (0.39) CNR2CNR1PDK2
SCHEMBL13781028 0.81 PDK2 (0.49) CNR2PDK2NPC1
SCHEMBL13781093 0.81 PDK2 (0.49) CNR2PDK2NPC1
SCHEMBL19723627 0.80 LMNA (0.41) CNR2PDK2
SCHEMBL13781057 0.80 PDK2 (0.46) CNR2PDK2NPC1

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-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 — — EP disclosed
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