Sugi Predict

Sugi Predict / Compounds / SCHEMBL7616279

SCHEMBL7616279

SCHEMBL7616279

CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CN(CC)C3)nc2c(=O)[nH]1.CCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CN(C(C)C)C3)nc2c(=O)[nH]1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.89
▸ PDE6C P51160 1/20 0.88

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
SCHEMBL119755 0.94 PDE5A (1.00) PDE5APDE6C
SCHEMBL119186 0.94 PDE5A (1.00) PDE5APDE6C
Hydrochloric Acid SCHEMBL6359398 0.93 PDE5A (0.98) PDE5APDE6C
SCHEMBL2404254 0.93 PDE5A (1.00) PDE5APDE6C
SCHEMBL6774758 0.89 PDE5A (0.88) PDE5APDE6C
SCHEMBL6777553 0.87 PDE5A (1.00) PDE5APDE6C
SCHEMBL6776828 0.86 PDE5A (1.00) PDE5APDE6C
SCHEMBL6360061 0.86 PDE5A (0.84) PDE5APDE6C
SCHEMBL6771870 0.85 PDE5A (1.00) PDE5APDE6C
SCHEMBL6358922 0.85 PDE5A (0.85) PDE5APDE6C

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-20020182162-A1 Nitric oxide (NO) donor+cGMP-PDE5 inhibitor as a topical drug for enhanced hair growth SHAHINPOOR MOHSEN (US) 2002-12-05 — — US disclosed