SCHEMBL6603428

SCHEMBL6603428

COC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccco4)cc3)C(=O)O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
SIGMAR1 Q99720 11/20 0.41
GRM2 Q14416 1/20 0.40
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
F10 P00742 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6600386 0.93 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6600283 0.92 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6604142 0.92 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6600611 0.91 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6603381 0.90 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6600250 0.89 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6599465 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6600729 0.87 ITGB3 (0.60) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6601092 0.86 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6603427 0.86 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed