SCHEMBL6602223

SCHEMBL6602223

CC(C)OC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccnc4)cc3)C(=O)O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SORT1 Q99523 1/20 0.38
F10 P00742 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 1/20 0.37
ACACB O00763 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 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
SCHEMBL6600840 0.93 ITGB3 (0.48) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL6602428 0.93 ITGB3 (0.45) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL6606831 0.92 ITGB3 (0.44) ITGB3ITGA2BF10SIGMAR1
SCHEMBL6599782 0.90 ITGB3 (0.51) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL6602679 0.90 ITGB3 (0.42) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL7314991 0.89 ADRA2A (0.42) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL6602220 0.88 ITGB3 (0.43) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL6600107 0.88 ITGB3 (0.43) ITGB3ITGA2BADRA2AADRA2BADRA2C
SCHEMBL6602058 0.88 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1
SCHEMBL6601617 0.87 ITGB3 (0.41) ITGB3ITGA2BADRA2AADRA2BADRA2C

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