SCHEMBL27473530

SCHEMBL27473530

CCCCC[C@H](CC)C(C)=N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 4/20 0.45
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
OPRM1 P35372 1/20 0.37
FDPS P14324 3/20 0.37

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
SCHEMBL27381632 0.98 CA2 (0.45) CA2MAPK1CA1GPR84FFAR1
SCHEMBL27400263 0.98 CA2 (0.45) CA2MAPK1CA1GPR84FFAR1
SCHEMBL27345960 0.93 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL18100109 0.88 CA2 (0.48) CA2GPR84FFAR1LMNAGRIK1
SCHEMBL11762017 0.81 CA2 (0.47) CA2MAPK1CA1GPR84FFAR1
SCHEMBL27984986 0.80 CA2 (0.50) CA2MAPK1CA1GPR84LMNA
SCHEMBL13121888 0.79 CA2 (0.54) CA2MAPK1CA1LMNAGRIK1
SCHEMBL30437067 0.79 CA2 (0.45) CA2MAPK1CA1GPR84LMNA
SCHEMBL10995430 0.78 CA2 (0.48) CA2MAPK1CA1GPR84FFAR1
SCHEMBL5933413 0.78 CA2 (0.48) CA2MAPK1CA1GPR84FFAR1

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-1178927-C Histamine H3 receptor ligands ��ղķ˹����Ƕ� 2004-12-08 CN disclosed
CN-1296478-A Histamine H3 receptor ligands BLACK JAMES FOUNDATION (GB) 2001-05-23 CN disclosed