SCHEMBL8620491

SCHEMBL8620491

CCOC(=O)C(CN(C(C)=O)[C@H]1CCCN(CCc2ccncc2)C1=O)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GAA P10253 4/20 0.33
FKBP1A P62942 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADORA2A P29274 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CHRM1 P11229 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX12 P18054 1/20 0.32
MPI P34949 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL7365261 0.79 ITGB3 (0.47) ITGB3ITGA2BGAAFKBP1AMAPT
SCHEMBL8621139 0.78 ITGB3 (0.37) ITGB3ITGA2BGAAMAPTMEN1
Hydrochloric Acid SCHEMBL8619234 0.77 ITGB3 (0.36) ITGB3ITGA2BGAAMAPTMEN1
SCHEMBL7369685 0.72 ITGB3 (0.47) ITGB3ITGA2BGAAFKBP1AKMT2A
Hydrochloric Acid SCHEMBL7370233 0.72 ITGB3 (0.47) ITGB3ITGA2BGAAFKBP1AHTT
Hydrochloric Acid SCHEMBL8621091 0.71 ITGB3 (0.34) ITGB3ITGA2BFKBP1AMAPTMEN1
SCHEMBL8624634 0.70 HRH3 (0.44) HRH3MEN1KMT2AALDH1A1LMNA
SCHEMBL7365263 0.70 ITGB3 (0.46) ITGB3ITGA2BFKBP1AHRH3ALDH1A1
SCHEMBL8618344 0.68 ITGB3 (0.35) ITGB3ITGA2BFKBP1A
SCHEMBL8616963 0.67 HRH3 (0.47) HRH3MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed