SCHEMBL5188945

SCHEMBL5188945

O=C(O)N1CCN(COCc2ccccc2)CCN(C(=O)O)CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.52
GRM5 P41594 5/20 0.51
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 1/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5002349 0.82 CHRM2 (0.53) TEAD3KMT2AMEN1KDM4E
SCHEMBL13992754 0.80 TSHR (0.47) TEAD3GRM5KMT2AALDH1A1LMNA
SCHEMBL30128338 0.79 LTA4H (0.56) TEAD3LMNATSHR
SCHEMBL4663018 0.79 LTA4H (0.60) LMNASMN1; SMN2KDM4ETSHR
SCHEMBL7301909 0.78 LMNA (0.59) LMNASMN1; SMN2TSHR
SCHEMBL2850013 0.78 ALDH1A1 (0.70) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6237770 0.77 GRM5 (0.48) TEAD3GRM5ALDH1A1LMNAGAA
SCHEMBL3795583 0.77 MEN1 (0.69) KMT2AALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL5235142 0.75 CTSL (0.55) ALDH1A1SMN1; SMN2
Fumaric Acid SCHEMBL6957258 0.75 HCAR2 (0.48) TEAD3KMT2AKDM4E

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-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 EP disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 WO disclosed