SCHEMBL13617430

SCHEMBL13617430

CCCCn1cnc(C[C@H](CCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.46
CPB1 P15086 4/20 0.46
DUT P33316 2/20 0.34
SIRT2 Q8IXJ6 6/20 0.33

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
SCHEMBL3841800 0.91 CPB2 (0.57) CPB2CPB1DUT
SCHEMBL3841237 0.91 CPB2 (0.57) CPB2CPB1DUT
SCHEMBL3839616 0.91 CPB2 (0.57) CPB2CPB1DUT
SCHEMBL3841255 0.86 CPB2 (0.64) CPB2CPB1DUT
SCHEMBL3846500 0.75 CPB2 (0.43) CPB2CPB1DUT
SCHEMBL3840141 0.75 CPB2 (0.43) CPB2CPB1DUT
SCHEMBL3839190 0.75 CPB2 (0.43) CPB2CPB1DUT
SCHEMBL3841798 0.69 CPB2 (0.88) CPB2CPB1
SCHEMBL3839587 0.69 CPB2 (0.88) CPB2CPB1
SCHEMBL13617213 0.69 CPB2 (0.33) CPB2CPB1DUT

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