SCHEMBL7307129

SCHEMBL7307129

CCOC(=O)COC1CCN(C(=O)C(C)NC(=O)c2ccc(C3=NOC(c4ccccc4)N3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.60
ITGA2B P08514 10/20 0.60
P2RY12 Q9H244 4/20 0.39
CCR1 P32246 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 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
SCHEMBL7310657 0.90 ITGB3 (0.57) ITGB3ITGA2BP2RY12CCR1
SCHEMBL7310059 0.88 ITGB3 (0.64) ITGB3ITGA2BP2RY12CCR1
SCHEMBL7317008 0.87 ITGB3 (0.45) ITGB3ITGA2BP2RY12KDM4ECHRM2
SCHEMBL7317003 0.87 ITGB3 (0.43) ITGB3ITGA2BP2RY12KDM4ECHRM2
SCHEMBL7307131 0.83 ITGB3 (0.41) ITGB3ITGA2BKDM4E
SCHEMBL7310664 0.79 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7310063 0.79 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7315714 0.77 ITGB3 (0.75) ITGB3ITGA2BP2RY12CCR1KDM4E
Sibrafiban SCHEMBL27618015 0.74 ITGB3 (1.00) ITGB3ITGA2BLMNA
Sibrafiban SCHEMBL50759 0.74 ITGB3 (1.00) ITGB3ITGA2BLMNA

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
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed