SCHEMBL6058531

SCHEMBL6058531

CCCOc1ccc(C(=O)CN2CCOCC2)cc1-n1nc(CCC)c2nc[nH]c(=O)c21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.55
▸ PDE6C P51160 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL146830 0.77 PDE5A (0.90) PDE5APDE6C
SCHEMBL29611957 0.77 PDE5A (0.90) PDE5APDE6C
SCHEMBL6058528 0.72 PDE5A (0.67) PDE5APDE6CALDH1A1MAPTHSD17B10
SCHEMBL5964550 0.72 PDE5A (0.70) PDE5APDE6C
SCHEMBL5990273 0.71 PDE5A (0.50) PDE5APDE6CALDH1A1MAPTKMT2A
SCHEMBL147337 0.71 PDE5A (1.00) PDE5APDE6CALDH1A1KMT2AMEN1
SCHEMBL6367349 0.70 PDE5A (0.84) PDE5APDE6CPDE4B
SCHEMBL1872915 0.70 PDE5A (0.58) PDE5APDE6CALDH1A1MAPTKMT2A
SCHEMBL2567278 0.69 PDE5A (0.70) PDE5APDE6C
SCHEMBL6634460 0.69 PDE5A (0.55) PDE5APDE6CALDH1A1MAPTKMT2A

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-7153824-B2 Inhibitors of phosphodiesterases in infertility APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-12-26 — — US disclosed
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