SCHEMBL5137772

SCHEMBL5137772

O=C(O)N1CCN(Cc2cccc3cocc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL16673587 0.83 FAAH (0.71) FAAHMEN1KMT2AMGLLKDM4E
SCHEMBL5382195 0.77 FAAH (0.72) FAAHMEN1KMT2AMGLLKDM4E
SCHEMBL3088484 0.72 MPO (0.73) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL14939397 0.72 ALDH1A1 (0.54) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL211923 0.71 FAAH (0.72) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL3098473 0.71 ALDH1A1 (0.70) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2931693 0.71 FAAH (0.70) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL2930821 0.70 HTT (0.57) FAAHMEN1KMT2AMGLLKDM4E
SCHEMBL28648421 0.70 HRH3 (0.51) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2931365 0.70 ALDH1A1 (0.53) FAAHMEN1KMT2AMGLLKDM4E

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-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed