SCHEMBL6601780

SCHEMBL6601780

CCCCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccs4)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
F10 P00742 5/20 0.45
SIGMAR1 Q99720 7/20 0.45
GRM2 Q14416 3/20 0.42
MAOB P27338 1/20 0.40
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 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
SCHEMBL6602365 0.93 F10 (0.44) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6602530 0.93 ITGB3 (0.60) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6601543 0.90 ITGB3 (0.52) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6603247 0.89 ITGB3 (0.54) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6600726 0.88 ITGB3 (0.48) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6602072 0.88 ITGB3 (0.52) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6600457 0.87 ITGB3 (0.48) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6601660 0.87 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6601021 0.86 ITGB3 (0.52) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6601206 0.85 ITGB3 (0.51) 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