SCHEMBL6203614

SCHEMBL6203614

CCCCCNc1nc(OC)c(-c2ccc(OC(F)(F)F)cc2OC)nc1CC

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.70
BRD4 O60885 1/20 0.36
SCN9A Q15858 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
SCHEMBL6201263 0.93 CRHR1 (0.62) CRHR1BRD4SCN9A
SCHEMBL6201786 0.91 CRHR1 (0.60) CRHR1BRD4SCN9A
SCHEMBL7482570 0.90 CRHR1 (0.57) CRHR1BRD4
SCHEMBL7473622 0.89 CRHR1 (0.58) CRHR1BRD4SCN9A
SCHEMBL7476681 0.89 CRHR1 (0.58) CRHR1BRD4SCN9A
SCHEMBL7477682 0.89 CRHR1 (0.57) CRHR1BRD4SCN9A
SCHEMBL7474865 0.89 CRHR1 (0.57) CRHR1
SCHEMBL7480024 0.87 CRHR1 (0.57) CRHR1
SCHEMBL7477918 0.85 CRHR1 (0.70) CRHR1
SCHEMBL5406545 0.85 CRHR1 (0.70) 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-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed