SCHEMBL7566910

SCHEMBL7566910

CCCN(c1c(C)nc(-c2c(C)cc(C)cc2OCCO)nc1OC)S(=O)(=O)CC1CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.58

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
SCHEMBL7491982 0.84 CRHR1 (0.70) CRHR1
SCHEMBL7566915 0.77 CRHR1 (0.56) CRHR1
SCHEMBL7596762 0.75 CRHR1 (0.64) CRHR1
SCHEMBL7566920 0.75 CRHR1 (0.44) CRHR1
SCHEMBL7493730 0.75 CRHR1 (0.67) CRHR1
SCHEMBL7488615 0.75 CRHR1 (0.69) CRHR1
SCHEMBL7590849 0.73 CRHR1 (0.80) CRHR1
SCHEMBL7592819 0.73 CRHR1 (0.65) CRHR1
SCHEMBL5356924 0.70 CRHR1 (1.00) CRHR1
SCHEMBL7485889 0.69 CRHR1 (0.63) 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