SCHEMBL6203522

SCHEMBL6203522

CCCCCCOc1nc(C)c(-c2ccc(OC)cc2C)nc1NC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.41
TLR8 Q9NR97 1/20 0.41
PDE2A O00408 2/20 0.38
PTPN11 Q06124 1/20 0.36
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6201596 0.89 CRHR1 (0.48) CRHR1PDE2A
SCHEMBL6204028 0.89 CRHR1 (0.48) CRHR1PDE2A
SCHEMBL6204671 0.88 CRHR1 (0.49) CRHR1
SCHEMBL6204648 0.87 PTPN11 (0.35) CRHR1TLR8PDE2APTPN11SMN1; SMN2
SCHEMBL6203153 0.84 CRHR1 (0.45) CRHR1PTPN11
SCHEMBL6204277 0.84 CRHR1 (0.45) CRHR1PTPN11
SCHEMBL6204012 0.83 CRHR1 (0.45) CRHR1
SCHEMBL6203571 0.82 CRHR1 (0.46) CRHR1
SCHEMBL6204658 0.82 CRHR1 (0.46) CRHR1
SCHEMBL6203296 0.81 CRHR1 (0.57) 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