SCHEMBL8481081

SCHEMBL8481081

CCCn1cnc2c1c(=O)n(CCCCC(C)(C#CCN(C)C)OC(=O)/C=C/C(=O)OC(C)(C#CCN(C)C)CCCCn1c(=O)c3c(ncn3CCC)n(CC)c1=O)c(=O)n2CC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ PDE4B Q07343 12/20 0.43
▸ PDE4C Q08493 12/20 0.43
▸ PDE4D Q08499 12/20 0.43
▸ ADORA2A P29274 7/20 0.43
▸ ADORA2B P29275 4/20 0.43
▸ TNF P01375 1/20 0.39
▸ CNOT7 Q9UIV1 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
SCHEMBL8485977 0.86 PDE4A (0.50) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8484574 0.85 PDE4A (0.48) PDE4ALMNAESR1CYP1A2MAPT
Fumaric Acid SCHEMBL8481075 0.85 PDE4A (0.45) PDE4ALMNAESR1CYP1A2MAPT
Fumaric Acid SCHEMBL8481085 0.85 PDE4A (0.45) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8479273 0.84 PDE4A (0.43) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8479982 0.82 PDE4A (0.40) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8486247 0.81 PDE4A (0.51) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8480234 0.81 PDE4A (0.51) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8485832 0.78 PDE4A (0.49) PDE4ALMNAESR1CYP1A2MAPT
SCHEMBL8479727 0.77 PDE4A (0.47) PDE4ALMNAESR1CYP1A2MAPT

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
US-5965555-A TREATMENT AND/OR PROPHYLAXIS OF CEREBROVASCULAR DISORDERS CHARACTERIZED BY DAMAGE CAUSED BY ISCHEMIA AND SUBSEQUENT NECROTIC DESTRUCTION OF NERVE CELLS(NEURONS) HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-12 — — US disclosed
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