SCHEMBL6204586

SCHEMBL6204586

CCCCCNc1nc(C)c(-c2ccc(OC)cc2CC)nc1C#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.43
CRHR1 P34998 2/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR7 Q9NYK1 3/20 0.35
CFTR P13569 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 4/20 0.34
BCHE P06276 3/20 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
SCHEMBL5635197 0.82 CRHR1 (0.60) USP8CRHR1
SCHEMBL6203800 0.80 CRHR1 (0.39) USP8CRHR1POLBALDH1A1HPGD
SCHEMBL7477663 0.77 CRHR1 (0.45) CRHR1ALDH1A1HPGDTLR7ACHE
SCHEMBL7478779 0.76 CRHR1 (0.44) CRHR1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL6204612 0.76 POLB (0.39) CRHR1POLBALDH1A1HPGDKDM4E
SCHEMBL7119050 0.75 CRHR1 (0.48) CRHR1TLR7
SCHEMBL6199780 0.74 CRHR1 (0.40) CRHR1POLBALOX15
SCHEMBL6203191 0.71 CRHR1 (0.46) CRHR1POLBALDH1A1HPGDKDM4E
SCHEMBL6202690 0.71 CRHR1 (0.46) CRHR1ALDH1A1LMNATLR7
SCHEMBL5634047 0.71 CRHR1 (0.60) USP8CRHR1

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