SCHEMBL11458768

SCHEMBL11458768

C=CCCCCn1cnc2c1c(=O)n(CCC=C)c(=O)n2CC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 11/20 0.63
▸ PDE4B Q07343 10/20 0.63
▸ PDE4C Q08493 10/20 0.63
▸ PDE4D Q08499 10/20 0.63
▸ ADORA2A P29274 9/20 0.63
▸ ADORA2B P29275 8/20 0.63
▸ ADORA1 P30542 1/20 0.49
▸ CYP1A2 P05177 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CNOT7 Q9UIV1 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL10815947 0.95 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11469431 0.94 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11476753 0.93 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9056239 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11469342 0.89 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466640 0.89 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11461789 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466643 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11458625 0.88 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10810942 0.88 ADORA2A (0.59) PDE4APDE4BPDE4CPDE4DADORA2A

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-4207321-A PROMOTES BLOOD PERFUSION HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US disclosed
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