SCHEMBL4704111

SCHEMBL4704111

O=C(O)N[C@H]1CCN([C@@H](Cc2cccnc2)C(=O)N2CCOCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KDM1A O60341 1/20 0.42
CHRM1 P11229 1/20 0.42
LMNA P02545 1/20 0.40
MMP8 P22894 1/20 0.40
VNN1 O95497 1/20 0.40
F10 P00742 7/20 0.40
NAMPT P43490 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL4706167 0.89 KDM1A (0.51) HPGDKDM1AMMP8F10
SCHEMBL4706069 0.89 KDM1A (0.42) KDM1ACHRM1MMP8F10
Hydrochloric Acid SCHEMBL4702814 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHPGDKDM1ACHRM1
SCHEMBL4705330 0.83 MMP8 (0.43) ALDH1A1KDM1AMMP8F10
SCHEMBL4703202 0.82 ALDH1A1 (0.43) ALDH1A1MAPTF10NAMPT
SCHEMBL4705662 0.80 F10 (0.40) KDM1AMMP8F10
SCHEMBL4704210 0.79 F10 (0.68) F10
SCHEMBL4705534 0.78 F10 (0.43) ALDH1A1F10
SCHEMBL4702122 0.78 F10 (0.41) F10
SCHEMBL4702773 0.77 REN (0.40) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed