SCHEMBL4751641

SCHEMBL4751641

CCCCCCc1nc2c([nH]1)CN(C)C1=N[C@@H]3CCC[C@@H]3N12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 11/20 0.66
▸ PDE3B Q13370 10/20 0.66
▸ PDE3A Q14432 10/20 0.66
▸ PDE4A P27815 3/20 0.66
▸ PDE4B Q07343 3/20 0.66
▸ PDE4C Q08493 3/20 0.66
▸ PDE4D Q08499 3/20 0.66

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
SCHEMBL4751642 1.00 PDE5A (0.66) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL149367 0.80 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL149365 0.80 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL149366 0.80 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL2436275 0.80 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL233525 0.64 PDE5A (0.45) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL24486041 0.58 GPR84 (0.41) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL236619 0.57 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL236618 0.57 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL236620 0.57 PDE5A (1.00) PDE5APDE3BPDE3APDE4APDE4B

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
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 — — WO disclosed
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