SCHEMBL27501035

SCHEMBL27501035

CC[CH]CCc1ncc(Br)nc1CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.33
EDNRA P25101 1/20 0.30

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
SCHEMBL8055301 0.77 CCR4 (0.35) CCR4EDNRA
SCHEMBL11223843 0.72 CCR4 (0.35) CCR4EDNRA
SCHEMBL11229329 0.70 CCR4 (0.39) CCR4EDNRA
SCHEMBL27787261 0.70 MEN1 (0.37)
SCHEMBL30427027 0.69 CCR4 (0.38) CCR4EDNRA
SCHEMBL8055545 0.69 CCR4 (0.38) CCR4EDNRA
SCHEMBL10271758 0.68 CCR4 (0.40) CCR4EDNRA
SCHEMBL11223672 0.67 CCR4 (0.38) CCR4EDNRA
SCHEMBL23250599 0.67 CCR4 (0.38) CCR4EDNRA
SCHEMBL29862850 0.67 CCR4 (0.38) CCR4EDNRA

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
CN-1231473-C Substituted arylpyrazines NEUROGEN CORP (US) 2005-12-14 CN disclosed
CN-1400970-A Substituted arylpyrazines NEUROGEN CORP (US) 2003-03-05 CN disclosed