SCHEMBL7308440

SCHEMBL7308440

CCOC(=O)COC1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(C(=N)NC(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.70
ITGA2B P08514 7/20 0.70
FPR2 P25090 1/20 0.46
KMT2A Q03164 1/20 0.45
HCRTR2 O43614 2/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
P2RY12 Q9H244 1/20 0.42
CCR1 P32246 1/20 0.42

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
SCHEMBL7310770 0.95 ITGB3 (0.78) ITGB3ITGA2BFPR2KMT2AHCRTR2
SCHEMBL7315714 0.89 ITGB3 (0.75) ITGB3ITGA2BP2RY12CCR1
SCHEMBL7302533 0.82 ITGB3 (0.54) ITGB3ITGA2BKMT2ARAB9AP2RY12
SCHEMBL7282972 0.78 ITGB3 (0.86) ITGB3ITGA2BKMT2A
SCHEMBL7310657 0.78 ITGB3 (0.57) ITGB3ITGA2BFPR2GAARAB9A
SCHEMBL2007668 0.76 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7310059 0.75 ITGB3 (0.64) ITGB3ITGA2BFPR2P2RY12CCR1
SCHEMBL7294592 0.75 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL8381348 0.75 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL13744638 0.73 ITGB3 (0.79) ITGB3ITGA2BGAARAB9A

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