SCHEMBL5789760

SCHEMBL5789760

OC(=S)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.68

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
SCHEMBL6291854 0.91 PDE5A (0.64) PDE5A
SCHEMBL9928813 0.90 PDE5A (0.73) PDE5A
SCHEMBL5789197 0.90 PDE5A (0.73) PDE5A
SCHEMBL9928823 0.87 PDE5A (0.63) PDE5A
SCHEMBL9928821 0.87 PDE5A (0.63) PDE5A
SCHEMBL6221521 0.87 PDE5A (0.75) PDE5A
SCHEMBL9928773 0.87 PDE5A (0.65) PDE5A
SCHEMBL5790417 0.87 PDE5A (0.65) PDE5A
SCHEMBL5789759 0.87 PDE5A (0.69) PDE5A
SCHEMBL9928817 0.86 PDE5A (0.59) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360186-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2006-11-22 EP claimed
US-7122554-B2 Carboline derivatives LILLY ICOS LLC. (US) 2006-10-17 US claimed
US-20040116458-A1 Chemical compounds LILLY ICOS LLC, A DELAWARE CORPORATION 2004-06-17 US claimed
EP-1360186-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2006-11-22 EP disclosed
US-7122554-B2 Carboline derivatives LILLY ICOS LLC. (US) 2006-10-17 US disclosed
US-20040116458-A1 Chemical compounds LILLY ICOS LLC, A DELAWARE CORPORATION 2004-06-17 US disclosed