SCHEMBL19134017

SCHEMBL19134017

CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C1=NC1CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 1.00
PDE5A O76074 5/20 1.00
PDE3B Q13370 5/20 1.00
PDE11A Q9HCR9 5/20 1.00
PDE7B Q9NP56 5/20 1.00
PDE10A Q9Y233 5/20 1.00
PDE2A O00408 4/20 1.00
PDE8A O60658 4/20 1.00
PDE9A O76083 3/20 0.83
PDE1B Q01064 1/20 0.74
PDE4B Q07343 1/20 0.74
PDE4C Q08493 1/20 0.74
PDE4D Q08499 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
SCHEMBL4920743 1.00 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL10201366 0.96 PDE4A (0.92) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8046028 0.95 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL18844203 0.93 PDE4A (0.97) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL17521214 0.93 PDE4A (0.87) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8048554 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL17366408 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL16899893 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL772857 0.91 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL16576765 0.90 PDE4A (0.82) PDE4APDE5APDE3BPDE11APDE7B

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-1888534-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-07-26 EP disclosed