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SCHEMBL8858110

SCHEMBL8858110

CCCN1CCN(CCCCN2CC(CN3CCN(C(CC(=O)OCC)C(=O)OCC)CC3)OC2=O)CC1.CCCN1CCN(CCCCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HTR2B P41595 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ DRD3 P35462 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
SCHEMBL8858104 0.94 ITGB3 (0.34) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL8858159 0.93 ITGB3 (0.34) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7313170 0.93 ITGB3 (0.38) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL8858148 0.90 ITGB3 (0.35) ITGB3ITGA2BHTR2B
SCHEMBL8858076 0.90 MAPK1 (0.38) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL8858099 0.88 MAPK1 (0.38) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7315163 0.86 ITGB3 (0.38) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7309903 0.85 ITGB3 (0.38) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL8858127 0.85 HTR2B (0.37) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL8858166 0.85 ITGB3 (0.33) ITGB3ITGA2BHTR2B

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