SCHEMBL4399681

SCHEMBL4399681

N=C(N)c1cccc(N2CC(=O)NC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.56
F2 P00734 11/20 0.56
PRSS1 P07477 10/20 0.56
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PRSS2 P07478 6/20 0.44
PRSS3 P35030 6/20 0.44
PLG P00747 1/20 0.44
C1S P09871 1/20 0.40
HPN P05981 4/20 0.40
HGFAC Q04756 4/20 0.40
ST14 Q9Y5Y6 4/20 0.40
KLKB1 P03952 1/20 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
SCHEMBL4392508 0.83 DDB1 (0.40) F10F2PRSS1DDB1CRBN
SCHEMBL3553878 0.82 ALDH1A1 (0.57) DDB1CRBN
SCHEMBL7257909 0.78 DDB1 (0.71) DDB1CRBN
SCHEMBL8076294 0.76 DDB1 (0.47) DDB1CRBN
SCHEMBL3552569 0.75 DDB1 (0.39) DDB1CRBN
SCHEMBL1788429 0.73 MEN1 (0.58) DDB1CRBN
SCHEMBL5182235 0.73 DDB1 (0.47) DDB1CRBN
Hydantoin SCHEMBL3552566 0.73 ALDH1A1 (0.48) DDB1CRBN
SCHEMBL23751202 0.72 PLAU (0.60) F10F2PRSS1PLGKLKB1
SCHEMBL746783 0.71 CRBN (0.66) DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed