SCHEMBL7566920

SCHEMBL7566920

COc1nc(-c2c(C)cc(C)cc2OCCO)nc(C)c1NCCCS(=O)(=O)CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.44
PDE4A P27815 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34

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
SCHEMBL7566915 0.81 CRHR1 (0.56) CRHR1PDE4APDE4DPDE3BPDE3A
SCHEMBL7592819 0.77 CRHR1 (0.65) CRHR1PDE4APDE4DPDE3BPDE3A
SCHEMBL7566910 0.75 CRHR1 (0.58) CRHR1
SCHEMBL7485281 0.71 CRHR1 (0.65) CRHR1
SCHEMBL7491982 0.70 CRHR1 (0.70) CRHR1
SCHEMBL7482966 0.69 CRHR1 (0.69) CRHR1
SCHEMBL7596769 0.68 CRHR1 (0.63) CRHR1
SCHEMBL7591922 0.66 CRHR1 (0.45) CRHR1
SCHEMBL7590852 0.65 CRHR1 (0.49) CRHR1
SCHEMBL7590881 0.63 CRHR1 (0.49) CRHR1

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-1233949-A2 5-SUBSTITUTED ARYLPYRIMIDINES NEUROGEN CORPORATION (US) 2002-08-28 EP disclosed
WO-2001068614-A2 5-SUBSTITUTED ARYLPYRIMIDINES NEUROGEN CORPORATION (US) 2001-09-20 WO disclosed