SCHEMBL6797617

SCHEMBL6797617

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 3/20 0.42
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 3/20 0.38
NPY2R P49146 1/20 0.38
MTTP P55157 1/20 0.38
USP30 Q70CQ3 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL6801474 0.87 DRD2 (0.41) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL442828 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL6797599 0.82 ITGB3 (0.39) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL382402 0.82 ITGB3 (0.40) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7544319 0.81 ITGB3 (0.49) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL382826 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7544324 0.80 ITGB3 (0.42) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL383372 0.79 ITGB3 (0.42) ITGB3ITGAVITGA2BHPGDGAA
SCHEMBL383374 0.79 ITGB3 (0.55) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL6799981 0.78 DRD2 (0.40) ITGB3ITGAVITGA2BALDH1A1

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