SCHEMBL6203742

SCHEMBL6203742

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.42
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
FLT3 P36888 1/20 0.31
KCNH2 Q12809 1/20 0.31
HASPIN Q8TF76 1/20 0.31

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
SCHEMBL6204414 0.99 CRHR1 (0.42) CRHR1
SCHEMBL6200455 0.88 CRHR1 (0.41) CRHR1
SCHEMBL6203669 0.84 CRHR1 (0.56) CRHR1
SCHEMBL5438838 0.81 CRHR1 (0.57) CRHR1
SCHEMBL6201986 0.81 CRHR1 (0.39) CRHR1
SCHEMBL6203029 0.80 CRHR1 (0.46) CRHR1
SCHEMBL6202927 0.80 CRHR1 (0.45) CRHR1
SCHEMBL5433561 0.80 CRHR1 (0.50) CRHR1
SCHEMBL6203563 0.79 CRHR1 (0.44) CRHR1
SCHEMBL6203954 0.79 CRHR1 (0.44) 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