SCHEMBL7920596

SCHEMBL7920596

COC(=O)CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.61
CNR1 P21554 9/20 0.56

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
SCHEMBL7924316 0.89 CNR2 (0.62) CNR2CNR1
SCHEMBL3467928 0.86 HDAC1 (0.60) CNR2CNR1
SCHEMBL3468139 0.82 CNR2 (0.58) CNR2CNR1
SCHEMBL3467225 0.81 HDAC1 (0.57) CNR2CNR1
SCHEMBL3467874 0.79 HDAC6 (0.57) CNR2CNR1
SCHEMBL3467463 0.79 CNR2 (0.58) CNR2CNR1
SCHEMBL3467213 0.79 HDAC1 (0.67) CNR2CNR1
SCHEMBL7917237 0.79 HDAC1 (0.56) CNR2CNR1
SCHEMBL3467892 0.79 CNR2 (0.58) CNR2CNR1
SCHEMBL3467087 0.79 CNR2 (0.58) CNR2CNR1

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-2010073078-A2 HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-01 WO disclosed