SCHEMBL7167198

SCHEMBL7167198

CCOC(=O)c1cnc2c(CC)cc(C#N)cc2c1NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 8/20 0.66
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ PDE6D O43924 1/20 0.42
▸ PDE6A P16499 1/20 0.42
▸ PDE6G P18545 1/20 0.42
▸ PDE6B P35913 1/20 0.42
▸ PDE6C P51160 1/20 0.42
▸ PDE6H Q13956 1/20 0.42

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
SCHEMBL7170790 0.91 PDE5A (0.69) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7167896 0.89 PDE5A (0.67) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7167673 0.87 PDE5A (0.73) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7164683 0.87 PDE5A (0.75) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7163487 0.85 PDE5A (0.70) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7170900 0.85 PDE5A (0.74) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7163184 0.84 PDE5A (0.73) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7160498 0.84 PDE5A (0.75) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7168464 0.84 PDE5A (0.68) PDE5AALDH1A1MAPTLMNAHPGD
SCHEMBL7168877 0.83 PDE5A (0.77) PDE5AALDH1A1MAPTLMNAHPGD

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-6576644-B2 Treating sexual dysfunction including erectile dysfunction, diabetes melitus, gastrointestinal disorders, including gastric paresis and cardiovascular disorders; cyclic guanosine 3',5'-monophosphate (cGMP) BRISTOL-MYERS SQUIBB CO. 2003-06-10 — — US claimed
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