SCHEMBL7480941

SCHEMBL7480941

CCCCCNc1nc(CC)c(-c2ccc(C(F)(F)F)cc2OC)nc1CC

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.68
SCN9A Q15858 3/20 0.38
TLR7 Q9NYK1 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL7477860 0.86 CRHR1 (0.53) CRHR1
SCHEMBL7481401 0.85 CRHR1 (0.65) CRHR1TLR7
SCHEMBL7477918 0.82 CRHR1 (0.70) CRHR1
SCHEMBL7478694 0.82 CRHR1 (0.69) CRHR1
SCHEMBL7472159 0.82 CRHR1 (0.54) CRHR1
SCHEMBL6078833 0.81 CRHR1 (1.00) CRHR1
SCHEMBL6201786 0.79 CRHR1 (0.60) CRHR1SCN9A
SCHEMBL7479339 0.78 CRHR1 (0.54) CRHR1TLR7
SCHEMBL7606978 0.78 CRHR1 (0.59) CRHR1
SCHEMBL6203614 0.78 CRHR1 (0.70) CRHR1SCN9A

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