SCHEMBL13617438

SCHEMBL13617438

COC(=O)[C@@H](N)Cc1cn(-c2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.59
CPB1 P15086 5/20 0.59
SIRT2 Q8IXJ6 8/20 0.39

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
Hydrochloric Acid SCHEMBL3839021 0.84 CPB2 (0.63) CPB2CPB1
SCHEMBL6069460 0.80 CDK5 (0.47) CPB2CPB1SIRT2
SCHEMBL6527840 0.80 CDK5 (0.47) CPB2CPB1SIRT2
SCHEMBL9257442 0.79 CPB2 (0.41) CPB2CPB1
Hydrochloric Acid SCHEMBL7356305 0.79 CDK5 (0.46) CPB2CPB1SIRT2
Hydrochloric Acid SCHEMBL6527838 0.79 CDK5 (0.46) CPB2CPB1SIRT2
Hydrochloric Acid SCHEMBL5997862 0.79 CDK5 (0.46) CPB2CPB1SIRT2
SCHEMBL522051 0.79 SIRT2 (0.60) CPB2CPB1SIRT2
SCHEMBL523065 0.79 SIRT2 (0.60) CPB2CPB1SIRT2
Hydrochloric Acid SCHEMBL6527843 0.79 CDK5 (0.46) CPB2CPB1SIRT2

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
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed