SCHEMBL6203669

SCHEMBL6203669

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.56
PLAU P00749 1/20 0.34
SOAT1 P35610 1/20 0.34
PDE10A Q9Y233 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
CASR P41180 2/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6203742 0.84 CRHR1 (0.42) CRHR1
SCHEMBL6201986 0.83 CRHR1 (0.39) CRHR1
SCHEMBL6204414 0.83 CRHR1 (0.42) CRHR1SOAT1
SCHEMBL6199707 0.81 CRHR1 (0.57) CRHR1PLAUBRD9BRD7
SCHEMBL5441186 0.79 CRHR1 (0.63) CRHR1PLAUBRD9BRD7
SCHEMBL6204988 0.78 CRHR1 (0.60) CRHR1
SCHEMBL7478531 0.78 TLR8 (0.44) CRHR1
SCHEMBL6201091 0.78 CRHR1 (0.43) CRHR1
SCHEMBL5434595 0.78 CRHR1 (0.59) CRHR1PLAUBRD9BRD7
SCHEMBL7482386 0.77 CRHR1 (0.42) CRHR1PDE10A

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