SCHEMBL6805789

SCHEMBL6805789

COC(=O)N([C@@H](Cn1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21)C(=O)OC(C)(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
KMT2A Q03164 3/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 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
SCHEMBL4640102 0.92 ITGB3 (0.34) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6810268 0.86 MAPT (0.32) MAPTKMT2ATHRBMEN1
SCHEMBL6876023 0.83 SIRT2 (0.36) MAPTKMT2ATHRBMEN1
SCHEMBL6805791 0.83 ITGB3 (0.44) MAPTKMT2AITGB3ITGAVITGA2B
Benzene SCHEMBL6882109 0.80 MAPT (0.35) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6879623 0.80 MAPT (0.34) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6881802 0.80 ITGB3 (0.36) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL4641013 0.79 ITGB3 (0.34) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6873497 0.79 ITGB3 (0.36) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6882858 0.79 CHKA (0.34) MAPTKMT2AITGB3ITGAVITGA2B

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed