SCHEMBL18927931

SCHEMBL18927931

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2[S@+](C)[O-])N2C1=NC1CCCC12

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 0.78
▸ PDE1A P54750 2/20 0.74
▸ PDE1B Q01064 1/20 0.74

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
SCHEMBL2510077 1.00 PDE4A (0.78) PDE4APDE1APDE1B
SCHEMBL2510080 1.00 PDE4A (0.78) PDE4APDE1APDE1B
SCHEMBL2512525 1.00 PDE4A (0.78) PDE4APDE1APDE1B
SCHEMBL2510081 0.91 PDE4A (0.75) PDE4APDE1APDE1B
SCHEMBL14243423 0.89 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL14158310 0.89 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL29790189 0.89 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL2472569 0.86 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL18928137 0.86 PDE1A (0.87) PDE4APDE1APDE1B
SCHEMBL2509883 0.85 PDE4A (0.79) PDE4APDE1APDE1B

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
EP-2367429-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-06-07 — — EP disclosed
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