SCHEMBL874551

SCHEMBL874551

COc1ccc(N2CCN(CC(=O)O)C(Cc3ccccc3)C2)c2ccc(C(F)(F)F)nc12.COc1ccc(N2CCN(CC(=O)O)C(Cc3ccccc3)C2)c2ccc(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 19/20 0.39
▸ PDE11A Q9HCR9 6/20 0.39
▸ PDE10A Q9Y233 5/20 0.38
▸ PDE4A P27815 5/20 0.37
▸ PDE4C Q08493 5/20 0.37
▸ PDE4D Q08499 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36

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
SCHEMBL873395 0.96 PDE4B (0.41) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL682935 0.96 PDE4B (0.41) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL874749 0.93 HTR1A (0.38) —
SCHEMBL682043 0.93 HTR1A (0.38) —
SCHEMBL683081 0.91 PDE4B (0.41) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL873715 0.91 PDE4B (0.41) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL681981 0.90 PDE4B (0.41) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL682661 0.90 PDE4B (0.42) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL873271 0.90 PDE4B (0.41) PDE4BPDE11APDE10APDE4APDE4C
SCHEMBL873766 0.90 PDE4B (0.42) PDE4BPDE11APDE10APDE4APDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 — — EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 — — WO claimed
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