SCHEMBL14067296

SCHEMBL14067296

CC(=O)N1CCC(NC(=O)c2ccccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.60
EPHX2 P34913 2/20 0.58
SMYD3 Q9H7B4 1/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM5A P29375 1/20 0.56
EPHX1 P07099 1/20 0.51
NTRK1 P04629 1/20 0.50
USP30 Q70CQ3 1/20 0.50
PTAFR P25105 1/20 0.50
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MET P08581 1/20 0.47
KDR P35968 1/20 0.47
MERTK Q12866 1/20 0.47
CRBN Q96SW2 1/20 0.47

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
SCHEMBL8062288 0.88 EPHX2 (0.74) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL25053100 0.86 GRM5 (0.63) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL2241357 0.84 GRM5 (0.77) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL8062282 0.83 EPHX2 (0.76) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL8063381 0.83 USP30 (0.68) GRM5EPHX2SMYD3KDM5AEPHX1
SCHEMBL8063384 0.83 KDM5A (0.70) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL5315579 0.83 SMYD3 (0.60) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL5316723 0.83 GRM5 (0.59) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL14625979 0.82 GRM5 (0.62) GRM5EPHX2SMYD3KDM4EGAA
SCHEMBL31654067 0.81 GRM5 (0.60) GRM5EPHX2SMYD3KDM4EGAA

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-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed