SCHEMBL6300245

SCHEMBL6300245

O=C(O)CC1C(=O)N(CC(=O)NCCCC2CCCCCN2)CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
ITGB3 P05106 5/20 0.37
ITGAV P06756 4/20 0.37
ALDH1A1 P00352 3/20 0.36
XIAP P98170 1/20 0.36
OPRM1 P35372 3/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2C P28335 1/20 0.34
ITGA2B P08514 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL6300242 0.77 ALDH1A1 (0.35) TPSAB1TPSD1TPSG1ITGB3ITGAV
SCHEMBL6300679 0.77 BDKRB1 (0.39) ITGB3ITGAVITGA2B
SCHEMBL6308297 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL6302598 0.75 ITGB3 (0.57) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL6302651 0.74 BDKRB1 (0.37) ITGB3ITGAVITGA2B
SCHEMBL6301697 0.73 ITGB3 (0.52) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL6300648 0.72 ITGB3 (0.53) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL6300360 0.69 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL6300576 0.68 ITGB3 (0.43) TPSAB1TPSD1TPSG1ITGB3ITGAV
SCHEMBL6308242 0.66 ITGB3 (0.48) TPSAB1TPSD1TPSG1ITGB3ITGAV

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-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed