SCHEMBL5879698

SCHEMBL5879698

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.71
ITGAV P06756 11/20 0.71
CCKBR P32239 1/20 0.45
NAMPT P43490 1/20 0.44
MAPT P10636 1/20 0.43
PTPN1 P18031 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5879645 0.94 ITGB3 (0.61) ITGB3ITGAVTSHRNPC1RAB9A
SCHEMBL5879625 0.92 ITGB3 (0.61) ITGB3ITGAVTSHRNPC1RAB9A
SCHEMBL5879843 0.83 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879531 0.82 ITGB3 (0.75) ITGB3ITGAVCCKBRNAMPT
SCHEMBL5879552 0.81 ITGB3 (0.83) ITGB3ITGAVCCKBR
SCHEMBL5879538 0.80 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879845 0.79 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5879789 0.78 ITGB3 (0.44) ITGB3ITGAVSMN1; SMN2
SCHEMBL5880224 0.74 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879791 0.74 ITGB3 (0.74) ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed