SCHEMBL4076065

SCHEMBL4076065

NC(=O)C(=O)NN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
LIPE Q05469 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL2024983 0.98 HTT (0.42) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL9872789 0.84 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL11443167 0.79 GNAI3 (0.42) POLBKDM4ECA12CA2CA9
SCHEMBL244127 0.79
Hydrochloric Acid SCHEMBL8684710 0.78 GAA (0.46) HTTLIPEGAAKDM4EALDH1A1
SCHEMBL1259794 0.77 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL15282042 0.77 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL7749096 0.77 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL7747487 0.77 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB
SCHEMBL7749230 0.77 HTT (0.45) HTTLIPEL3MBTL1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed