SCHEMBL7474531

SCHEMBL7474531

CCCCCNc1nc(OC)c(-c2ccc(Cl)cc2OCC)nc1CC

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.52
CNR1 P21554 1/20 0.36

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
SCHEMBL6075781 0.88 CRHR1 (0.67) CRHR1CNR1
SCHEMBL7480024 0.85 CRHR1 (0.57) CRHR1
SCHEMBL5417679 0.82 CRHR1 (0.77) CRHR1
SCHEMBL7472862 0.80 CRHR1 (0.61) CRHR1CNR1
SCHEMBL6075200 0.80 CRHR1 (0.65) CRHR1CNR1
SCHEMBL7474865 0.77 CRHR1 (0.57) CRHR1
SCHEMBL6203614 0.77 CRHR1 (0.70) CRHR1
SCHEMBL7475228 0.77 CRHR1 (0.62) CRHR1
SCHEMBL14416720 0.76 CRHR1 (0.76) CRHR1
SCHEMBL7478434 0.76 CRHR1 (0.66) 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