SCHEMBL18927928

SCHEMBL18927928

CSc1c2c(nn1Cc1ccc(-c3cccc(F)n3)cc1)N1C(=NC3CCCC31)NC2=O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 0.64
▸ PDE1B Q01064 1/20 0.64
▸ PDE4A P27815 18/20 0.62

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
SCHEMBL2476990 1.00 PDE1A (0.64) PDE1APDE1BPDE4A
SCHEMBL23082965 0.90 PDE4A (0.63) PDE1APDE1BPDE4A
SCHEMBL2511191 0.88 PDE4A (0.60) PDE1APDE1BPDE4A
SCHEMBL18928137 0.85 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL2472569 0.85 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL16435878 0.82 PDE4A (0.52) PDE1APDE1BPDE4A
SCHEMBL14243419 0.78 PDE1A (1.00) PDE1APDE1BPDE4A
SCHEMBL14243117 0.78 PDE1A (1.00) PDE1APDE1BPDE4A
SCHEMBL12198194 0.77 PDE1A (0.74) PDE1APDE1BPDE4A
SCHEMBL14243423 0.77 PDE4A (0.85) PDE1APDE1BPDE4A

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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