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SCHEMBL8251324

SCHEMBL8251324

CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2CCN=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 1.00
▸ PDE2A O00408 3/20 0.64
▸ PDE8A O60658 3/20 0.64
▸ PDE5A O76074 3/20 0.64
▸ PDE3B Q13370 3/20 0.64
▸ PDE11A Q9HCR9 3/20 0.64
▸ PDE7B Q9NP56 3/20 0.64
▸ PDE10A Q9Y233 3/20 0.64
▸ PDE9A O76083 2/20 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
SCHEMBL4910753 0.85 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4921416 0.83 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL8060117 0.82 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4919288 0.81 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4922144 0.81 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL18745384 0.81 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL4920743 0.78 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL19134017 0.78 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL10201366 0.74 PDE4A (0.92) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL8046028 0.74 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B

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
WO-2006133261-A2 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2006-12-14 — — WO disclosed
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