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Sugi Predict / Compounds / SCHEMBL6202714

SCHEMBL6202714

SCHEMBL6202714

CCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3CCN(C)CC3)nc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00

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
SCHEMBL3583798 0.94 PDE5A (1.00) PDE5A
SCHEMBL3571129 0.94 PDE5A (1.00) PDE5A
SCHEMBL3579337 0.93 PDE5A (0.92) PDE5A
SCHEMBL314744 0.91 PDE5A (0.83) PDE5A
SCHEMBL3586171 0.89 PDE5A (0.85) PDE5A
SCHEMBL3579878 0.89 PDE5A (0.80) PDE5A
SCHEMBL3576801 0.88 PDE5A (0.89) PDE5A
SCHEMBL3584230 0.88 PDE5A (0.78) PDE5A
SCHEMBL3585469 0.88 PDE5A (1.00) PDE5A
SCHEMBL3575752 0.88 PDE5A (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572214-A1 MORPHOLINE DERIVATIVES FOR USE AS DOPAMINE AGONISTS IN THE TREATMENT OF I.A. SEXUAL DYSFUNCTION Pfizer Limited (GB) 2005-09-14 — — EP disclosed
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 — — EP disclosed
WO-2004052372-A1 MORPHOLINE DERIVATIVES FOR USE AS DOPAMINE AGONISTS IN THE TREATMENT OF I.A. SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2004-06-24 — — WO disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 — — WO disclosed