SCHEMBL2228357

SCHEMBL2228357

C1=CCC(N2CCCCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
L3MBTL3 Q96JM7 7/20 0.39
L3MBTL1 Q9Y468 6/20 0.39
MBTD1 Q05BQ5 5/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR6 P50406 1/20 0.34
TP53BP1 Q12888 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL2228963 0.97 L3MBTL3 (0.41) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL2227575 0.83 KDM4E (0.41) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL14838336 0.83 KDM4E (0.41) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL735494 0.82 FYN (0.41) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL735922 0.82 FYN (0.41) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL735437 0.82 FYN (0.41) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL2227496 0.79 L3MBTL3 (0.39) FYNL3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL737061 0.79
SCHEMBL19312789 0.76 HTR6 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL23581363 0.73

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed