SCHEMBL7148096

SCHEMBL7148096

CC(CNC(=O)O)c1cc(OC2CCCC2)c(OC(=O)Oc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.40
ACACB O00763 7/20 0.38
PDE4A P27815 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
EPHX2 P34913 1/20 0.37
GRM5 P41594 2/20 0.36
ADRB1 P08588 1/20 0.35
ADRB3 P13945 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
SCHEMBL7148673 0.69 ACACB (0.41) PDE4BACACBPDE4APDE4CPDE4D
SCHEMBL7311861 0.69 PDE4A (0.56) PDE4BPDE4APDE4CPDE4DEPHX2
SCHEMBL7149989 0.63 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DEPHX2
SCHEMBL7144111 0.62 PDE4A (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL1787764 0.61 ALDH1A1 (0.51)
SCHEMBL8462846 0.61 PDE4A (0.66) PDE4BPDE4APDE4CPDE4D
SCHEMBL72687 0.61 PDE4D (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL3574564 0.60 L3MBTL1 (0.42)
SCHEMBL1353554 0.60 ALDH1A1 (0.54)
SCHEMBL3969483 0.59 MTNR1A (0.54) ACACB

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
US-6656959-B1 PDE IV inhibiting pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-02 US disclosed
EP-1068194-B1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-05 EP disclosed