SCHEMBL5879593

SCHEMBL5879593

O=C(O)CC1c2ccccc2C(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.59
ITGAV P06756 17/20 0.59
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
POLB P06746 1/20 0.51

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
SCHEMBL5879515 0.91 ITGB3 (0.61) ITGB3ITGAV
SCHEMBL5879914 0.85 ITGB3 (0.47) ITGB3ITGAVKDM4E
SCHEMBL5879794 0.84 ITGB3 (0.63) ITGB3ITGAV
SCHEMBL5879556 0.83 ITGB3 (0.50) ITGB3ITGAV
SCHEMBL5879559 0.83 HTR1A (0.46) ITGB3ITGAVKDM4E
SCHEMBL5879583 0.80 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879581 0.77 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL5879871 0.77 ALDH1A1 (0.50) ITGB3ITGAVKDM4E
SCHEMBL5879954 0.77 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL5879798 0.76 ALDH1A1 (0.49) ITGB3ITGAVKDM4E

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