SCHEMBL10616213

SCHEMBL10616213

CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(Cl)cc3N)nc21

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.60
▸ PDE2A O00408 1/20 0.54
▸ PDE1A P54750 1/20 0.54
▸ PDE1B Q01064 1/20 0.54
▸ PDE1C Q14123 1/20 0.54

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
SCHEMBL10614242 0.87 ADORA2B (0.53) —
SCHEMBL10617168 0.85 ADORA2B (0.49) —
SCHEMBL10614807 0.85 ADORA2B (0.57) —
SCHEMBL10616203 0.84 ADORA2B (0.51) —
SCHEMBL4650748 0.81 ADORA2B (0.74) —
SCHEMBL10614388 0.80 ADORA2B (0.60) —
SCHEMBL10614219 0.75 ADORA2B (0.52) —
SCHEMBL10617164 0.73 KDM4E (0.62) —
SCHEMBL897036 0.71 PDE1A (1.00) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL25090647 0.71 KDM4E (0.62) —

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-4769377-A Adenosine receptor antagonists THE JOHNS HOPKINS UNIVERSITY (US) 1988-09-06 — — US disclosed
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