SCHEMBL17844966

SCHEMBL17844966

O=C(O)N1CCN(CC(O)CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
HSD17B10 Q99714 2/20 0.44
DRD2 P14416 2/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
DRD3 P35462 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL7436790 0.83 ADRA1D (0.58) MAPK1GAAKDM4EDRD2HTR7
SCHEMBL2680583 0.82 KDM4E (0.56) MAPK1ALDH1A1KMT2AMEN1GAA
SCHEMBL17861488 0.81 ABCB1 (0.55) MAPK1ALDH1A1KMT2AKDM4E
SCHEMBL8285114 0.80 USP2 (0.56) MAPK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8939993 0.80 ALDH1A1 (0.64) MAPK1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL17219336 0.80 LMNA (0.58) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL7985824 0.78 SLC18A3 (0.63) MAPK1SMN1; SMN2
SCHEMBL19753773 0.78 KMT2A (0.46) MAPK1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL9400933 0.77 HTR1A (0.63) MAPK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1275567 0.77 HTR1A (0.68) ALDH1A1DRD2DRD3HTR1A

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-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed