SCHEMBL9552168

SCHEMBL9552168

CCCOc1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 4/20 0.37
AGTR1 P30556 2/20 0.34
AGTR2 P50052 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL9552997 0.96 SLC33A1 (0.37) SLC33A1AGTR1AGTR2
SCHEMBL9552173 0.93 PDE5A (0.37) SLC33A1AGTR1AGTR2PDE5APDE1A
SCHEMBL9553593 0.90 SLC33A1 (0.36) SLC33A1AGTR1AGTR2PDE5APDE1A
SCHEMBL9739892 0.87 SLC33A1 (0.37) SLC33A1AGTR1AGTR2
SCHEMBL9739582 0.86 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9738379 0.85 SLC33A1 (0.36) SLC33A1AGTR1AGTR2
SCHEMBL9552810 0.85 AGTR1 (0.42) SLC33A1AGTR1AGTR2
SCHEMBL9552812 0.85 SLC33A1 (0.38) SLC33A1AGTR1AGTR2
SCHEMBL9738367 0.85 SLC33A1 (0.35) SLC33A1AGTR1AGTR2
SCHEMBL9553152 0.84 AGTR1 (0.49) SLC33A1AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed