SCHEMBL874503

SCHEMBL874503

FC(F)Oc1cccc(Br)c1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.41
PDE4B Q07343 12/20 0.41
PDE4A P27815 7/20 0.41
PDE4C Q08493 7/20 0.41
RIPK1 Q13546 1/20 0.36
ABCB11 O95342 1/20 0.35

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
SCHEMBL28164154 0.82 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CRIPK1
SCHEMBL6877898 0.82 PDE4B (0.43) PDE4DPDE4BPDE4APDE4CRIPK1
SCHEMBL10209543 0.80 SMN1; SMN2 (0.44) PDE4DPDE4BPDE4APDE4CRIPK1
SCHEMBL129328 0.80 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL18830718 0.78 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CRIPK1
SCHEMBL29994875 0.78 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CRIPK1
SCHEMBL27756339 0.77 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4594035 0.77 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL129155 0.77 RIPK1 (0.39) PDE4DPDE4BPDE4APDE4CRIPK1
SCHEMBL8232372 0.76 THRA (0.36) RIPK1

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 disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed