SCHEMBL7477440

SCHEMBL7477440

CCCCCOc1nc(CC)c(-c2ccc(OCC3CC3)cc2Cl)nc1CC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.44
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
CNR1 P21554 5/20 0.39

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
SCHEMBL7477942 0.87 CRHR1 (0.49) CRHR1CNR1
SCHEMBL7483753 0.84 CRHR1 (0.47) CRHR1CNR1
SCHEMBL5411655 0.84 CRHR1 (0.66) CRHR1
SCHEMBL7472211 0.83 CRHR1 (0.48) CRHR1CNR1
SCHEMBL7479299 0.81 CRHR1 (0.65) CRHR1CNR1
SCHEMBL6204021 0.80 CRHR1 (0.56) CRHR1CNR1
SCHEMBL5409704 0.77 CRHR1 (0.71) CRHR1CNR1
SCHEMBL7480028 0.76 CRHR1 (0.47) CRHR1CNR1
SCHEMBL5409778 0.74 CRHR1 (0.64) CRHR1CNR1
SCHEMBL6203666 0.74 CRHR1 (0.50) CRHR1CNR1

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-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP claimed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO claimed