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SCHEMBL8858102

SCHEMBL8858102

CC(C)N1CCC(N2CC(COS(C)(=O)=O)OC2=O)CC1.CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR2B P41595 3/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7309946 0.92 L3MBTL1 (0.43) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL8858116 0.92 KDM4E (0.35) HTR2BMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8858138 0.87 L3MBTL1 (0.39) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL8858082 0.87 KDM4E (0.34) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8858107 0.84 KDM4E (0.33) L3MBTL1HTR2BMEN1KMT2AKDM4E
SCHEMBL8858105 0.84 HTR2B (0.40) HTR2BITGB3ITGA2B
SCHEMBL7307030 0.83 HTR2B (0.38) HTR2BMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8858095 0.81 MEN1 (0.37) MEN1KMT2AKDM4ESMN1; SMN2ITGB3
SCHEMBL7310562 0.80 ITGB3 (0.37) HTR2BMEN1KMT2AKDM4EITGB3
SCHEMBL8858162 0.79 KDM4E (0.33) MEN1KMT2AKDM4ESMN1; SMN2ITGB3

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
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 — — US disclosed