SCHEMBL6201986

SCHEMBL6201986

CCCCCOc1nc(CC)c(-c2ccc(C(F)(F)F)nc2OC)nc1CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.39
TRPV1 Q8NER1 6/20 0.35
PDE4B Q07343 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33

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
SCHEMBL6203669 0.83 CRHR1 (0.56) CRHR1
SCHEMBL5432964 0.81 CRHR1 (0.55) CRHR1
SCHEMBL6203742 0.81 CRHR1 (0.42) CRHR1
SCHEMBL6204414 0.80 CRHR1 (0.42) CRHR1
SCHEMBL7482091 0.77 CRHR1 (0.43) CRHR1
SCHEMBL7480028 0.76 CRHR1 (0.47) CRHR1
SCHEMBL7474501 0.75 CRHR1 (0.59) CRHR1
SCHEMBL7478531 0.74 TLR8 (0.44) CRHR1
SCHEMBL6201091 0.74 CRHR1 (0.43) CRHR1
SCHEMBL6200122 0.74 CRHR1 (0.47) 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 claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed