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Sugi Predict / Compounds / SCHEMBL7196124

SCHEMBL7196124

SCHEMBL7196124

CCCOc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1-c1[nH]c2c(=O)n(C)c(=O)n(CCC)c2c1Br.CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1-c1[nH]c2c(=O)n(C)c(=O)n(CCC)c2c1Br

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.55
▸ PDE6D O43924 1/20 0.46
▸ PDE6A P16499 1/20 0.46
▸ PDE6G P18545 1/20 0.46
▸ PDE6B P35913 1/20 0.46
▸ PDE6C P51160 1/20 0.46
▸ PDE6H Q13956 1/20 0.46
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44

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
SCHEMBL6304646 0.92 PDE5A (0.63) PDE5A
SCHEMBL6313114 0.89 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6306616 0.88 PDE5A (0.58) PDE5A
SCHEMBL6305338 0.87 PDE5A (0.57) PDE5APDE3BPDE3A
SCHEMBL6305495 0.86 PDE5A (0.59) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6306248 0.86 PDE5A (0.64) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6306537 0.84 PDE5A (0.68) PDE5APDE3BPDE3A
SCHEMBL6312592 0.83 PDE5A (0.58) PDE5A
SCHEMBL6306242 0.82 PDE5A (0.65) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6313621 0.82 PDE5A (0.56) PDE5APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286997-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-03-05 — — EP disclosed
WO-2001094350-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-12-13 — — WO disclosed