SCHEMBL6600840

SCHEMBL6600840

CC(C)OC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccnc4)cc3)C(=O)O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
SIGMAR1 Q99720 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ACACB O00763 1/20 0.38
F10 P00742 1/20 0.37
SORT1 Q99523 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TP53 P04637 1/20 0.36
HTR7 P34969 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL7640299 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1SMN1; SMN2ACACB
SCHEMBL6602223 0.93 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1SMN1; SMN2ACACB
SCHEMBL6601119 0.92 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1F10ADRA2A
SCHEMBL6602430 0.91 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1SMN1; SMN2F10
SCHEMBL6601597 0.90 ITGB3 (0.60) ITGB3ITGA2BSIGMAR1F10GRM2
SCHEMBL6602220 0.90 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1SMN1; SMN2ACACB
SCHEMBL6605657 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1MAPTGRM2
SCHEMBL6605957 0.87 ITGB3 (0.56) ITGB3ITGA2BSIGMAR1SMN1; SMN2GRM2
SCHEMBL6602405 0.87 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1SMN1; SMN2F10
SCHEMBL6602415 0.86 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1SMN1; SMN2F10

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