SCHEMBL6202389

SCHEMBL6202389

CCCCCCCOc1nc(Br)c(-c2ccc(OCC)cc2OC)nc1NC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.44
CACNA2D1 P54289 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SMPD1 P17405 3/20 0.34
PTPN11 Q06124 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL6204985 1.00 CRHR1 (0.44) CRHR1CACNA2D1THRATHRBSMPD1
SCHEMBL6203602 0.99 CRHR1 (0.45) CRHR1CACNA2D1THRATHRBLRRK2
SCHEMBL5446474 0.91 CRHR1 (0.49) CRHR1CACNA2D1LRRK2
SCHEMBL6204280 0.89 CRHR1 (0.46) CRHR1THRATHRBSMPD1
SCHEMBL6202607 0.89 CRHR1 (0.46) CRHR1THRATHRBSMPD1
SCHEMBL6204277 0.89 CRHR1 (0.45) CRHR1CACNA2D1THRATHRBPTPN11
SCHEMBL6203153 0.89 CRHR1 (0.45) CRHR1CACNA2D1THRATHRBPTPN11
SCHEMBL6202901 0.89 CRHR1 (0.47) CRHR1
SCHEMBL6203198 0.89 CRHR1 (0.42) CRHR1THRATHRBSMPD1
SCHEMBL6203048 0.88 CRHR1 (0.46) CRHR1SMPD1

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