SCHEMBL7309946

SCHEMBL7309946

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HTR2B P41595 4/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SIGMAR1 Q99720 5/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8858138 0.94 L3MBTL1 (0.39) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL8858102 0.92 L3MBTL1 (0.38) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL7307030 0.90 HTR2B (0.38) HTR2BMEN1KMT2AKDM4EITGB3
SCHEMBL7310562 0.87 ITGB3 (0.37) HTR2BMEN1KMT2AKDM4EITGB3
SCHEMBL8858167 0.84 HTR2B (0.36) HTR2BMEN1KMT2AKDM4EITGB3
SCHEMBL7311004 0.84 L3MBTL1 (0.37) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL8858116 0.82 KDM4E (0.35) HTR2BMEN1KMT2AKDM4EITGB3
SCHEMBL7314406 0.82 ITGB3 (0.36) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL7311445 0.81 HTR2B (0.46) L3MBTL1HTR2BSIGMAR1
SCHEMBL7311868 0.80 HTR2B (0.46) L3MBTL1HTR2BITGB3ITGA2BMAPT

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-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed