SCHEMBL7310562

SCHEMBL7310562

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HTR2B P41595 3/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM1 P11229 1/20 0.32
SIGMAR1 Q99720 3/20 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
SCHEMBL7307030 0.89 HTR2B (0.38) ITGB3ITGA2BHTR2BKMT2AMEN1
SCHEMBL7306954 0.87 KCNH2 (0.37) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL7309946 0.87 L3MBTL1 (0.43) ITGB3ITGA2BHTR2BKMT2AMEN1
SCHEMBL7303588 0.86 GAA (0.32) ITGB3ITGA2BHTR2BKMT2AMEN1
SCHEMBL7316734 0.85 KCNH2 (0.37) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL8858167 0.84 HTR2B (0.36) ITGB3ITGA2BHTR2BKMT2AMEN1
SCHEMBL7308973 0.83 ITGB3 (0.38) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL7307496 0.83 KCNH2 (0.36) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL7304312 0.83 KCNH2 (0.34) ITGB3ITGA2BKMT2AMEN1KDM4E
SCHEMBL7314498 0.82 ITGB3 (0.37) ITGB3ITGA2BKMT2AMEN1KDM4E

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
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed