SCHEMBL6203747

SCHEMBL6203747

CCCCCOc1nc(Br)c(-c2ccc(OCC)cc2Cl)nc1NC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.44
CNR1 P21554 4/20 0.40
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
CCR4 P51679 1/20 0.35
PDE2A O00408 1/20 0.34
CHRNA7 P36544 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 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
SCHEMBL6205707 0.99 CRHR1 (0.43) CRHR1CNR1LIMK1LIMK2CCR4
SCHEMBL6204591 0.92 CRHR1 (0.43) CRHR1CNR1LIMK1LIMK2CCR4
SCHEMBL6204093 0.91 CRHR1 (0.42) CRHR1CNR1LIMK1LIMK2CCR4
SCHEMBL6201218 0.91 CRHR1 (0.42) CRHR1CNR1LIMK1LIMK2CCR4
SCHEMBL6203274 0.89 CNR1 (0.40) CRHR1CNR1LIMK1LIMK2CCR4
SCHEMBL6203602 0.87 CRHR1 (0.45) CRHR1MAPTKDM4ETHRATHRB
SCHEMBL6204985 0.86 CRHR1 (0.44) CRHR1THRATHRB
SCHEMBL6202389 0.86 CRHR1 (0.44) CRHR1THRATHRB
SCHEMBL5432749 0.84 CRHR1 (0.45) CRHR1CNR1LIMK1CHRNA7MAPK14
SCHEMBL5437646 0.83 CRHR1 (0.48) CRHR1LIMK1LIMK2CHRNA7MAPK14

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