SCHEMBL6797577

SCHEMBL6797577

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGAV P06756 7/20 0.47
ITGA2B P08514 7/20 0.47
NPY2R P49146 1/20 0.38
MTTP P55157 1/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 3/20 0.35
PRMT5 O14744 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
JAK2 O60674 1/20 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
SCHEMBL7544319 0.92 ITGB3 (0.49) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6801434 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BJAK1
SCHEMBL383374 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6798758 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382676 0.82 ITGB3 (0.52) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6797582 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6799962 0.79 CASR (0.40) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL6800147 0.79 ITGB3 (0.45) ITGB3ITGAVITGA2BSMN1; SMN2NPSR1
SCHEMBL7544338 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL383372 0.78 ITGB3 (0.42) ITGB3ITGAVITGA2BNPY2RMTTP

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