SCHEMBL6797599

SCHEMBL6797599

CC(C)(C)OC(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
ITGA2B P08514 3/20 0.39
GAA P10253 3/20 0.38
USP30 Q70CQ3 4/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
NPY2R P49146 1/20 0.36
MTTP P55157 1/20 0.36
KMT2A Q03164 2/20 0.35

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
SCHEMBL6801456 0.87 DRD2 (0.41) ITGB3ITGAVITGA2B
SCHEMBL383373 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BGAAUSP30
SCHEMBL6797617 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2BGAAUSP30
SCHEMBL382400 0.82 ITGB3 (0.38) ITGB3ITGAVITGA2BHPGDSMN1; SMN2
SCHEMBL382824 0.81 ITGB3 (0.48) ITGB3ITGAVITGA2BGAASMN1; SMN2
SCHEMBL7544338 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2BGAAUSP30
SCHEMBL6799972 0.78 DRD2 (0.40) ITGB3ITGAVITGA2B
SCHEMBL7544319 0.78 ITGB3 (0.49) ITGB3ITGAVITGA2BGAAUSP30
SCHEMBL6798772 0.78 ITGB3 (0.44) ITGB3ITGAVITGA2BGAAUSP30
SCHEMBL442828 0.78 ITGB3 (0.43) ITGB3ITGAVITGA2BGAAUSP30

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-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US claimed
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed