SCHEMBL6601543

SCHEMBL6601543

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
F10 P00742 4/20 0.49
SIGMAR1 Q99720 12/20 0.49
MAOB P27338 1/20 0.43
GRM2 Q14416 1/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 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
SCHEMBL6602530 0.93 ITGB3 (0.60) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6599380 0.93 F10 (0.49) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6600457 0.92 ITGB3 (0.48) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6601780 0.90 ITGB3 (0.51) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6600726 0.89 ITGB3 (0.48) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6602652 0.88 ITGB3 (0.55) ITGB3ITGA2BF10SIGMAR1GRM2
SCHEMBL6600105 0.87 ITGB3 (0.51) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL6602820 0.86 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6605240 0.86 F10 (0.46) ITGB3ITGA2BF10SIGMAR1MAOB
SCHEMBL7306117 0.86 ITGB3 (0.53) ITGB3ITGA2BF10SIGMAR1GRM2

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