SCHEMBL7309955

SCHEMBL7309955

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(CCN3CCN(C)CC3)C(=O)O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SIGMAR1 Q99720 7/20 0.33
PKM P14618 1/20 0.33
OPRM1 P35372 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
SCHEMBL8858063 0.94 ITGB3 (0.34) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL8858162 0.92 KDM4E (0.33) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7308973 0.90 ITGB3 (0.38) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7316892 0.90 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7310379 0.90 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7316403 0.88 LMNA (0.47) MEN1KMT2ASIGMAR1PKMOPRM1
SCHEMBL7314406 0.86 ITGB3 (0.36) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7314498 0.85 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL7305713 0.85 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AKDM4E
SCHEMBL8858192 0.84 ITGB3 (0.34) ITGB3ITGA2BMEN1KMT2AKDM4E

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