SCHEMBL6806684

SCHEMBL6806684

O=C(CCn1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21)ONC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
ITGA2B P08514 3/20 0.41
HTR2C P28335 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 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
SCHEMBL4640112 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6801814 0.85 HTR2C (0.34) HTR2CKMT2AMAPT
SCHEMBL6805791 0.82 ITGB3 (0.44) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL4640676 0.81 KMT2A (0.36) HTR2CKMT2AMEN1MAPT
SCHEMBL6803682 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6805793 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL4641339 0.75 STAT3 (0.38) ITGB3ITGAVHTR2CKMT2AMEN1
SCHEMBL4640102 0.75 ITGB3 (0.34) ITGB3ITGAVITGA2BHTR2CKMT2A
SCHEMBL6876023 0.74 SIRT2 (0.36) HTR2CKMT2AMEN1MAPT
SCHEMBL4640085 0.71 ITGAV (0.38) ITGB3ITGAVITGA2BMAPTSTAT3

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