SCHEMBL8621139

SCHEMBL8621139

CCOC(=O)C(CN(C(C)=O)N1CCC[C@H](CCc2ccncc2)C1=O)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.37
ITGAV P06756 4/20 0.37
ITGA2B P08514 2/20 0.35
GAA P10253 4/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A1 P43005 2/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 2/20 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
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL8619234 0.99 ITGB3 (0.36) ITGB3ITGAVITGA2BGAASLC1A2
Hydrochloric Acid SCHEMBL8621091 0.92 ITGB3 (0.34) ITGB3ITGAVITGA2BSLC1A2SLC1A3
SCHEMBL8618344 0.90 ITGB3 (0.35) ITGB3ITGAVITGA2BSLC1A2SLC1A3
SCHEMBL8620398 0.85 MC4R (0.33) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7371949 0.82 ACE (0.35) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7912469 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7369685 0.79 ITGB3 (0.47) ITGB3ITGAVITGA2BGAASLC1A2
Hydrochloric Acid SCHEMBL7370233 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BGAASLC1A2
SCHEMBL8620491 0.78 ITGB3 (0.35) ITGB3ITGA2BGAAMAPTMEN1
SCHEMBL8103481 0.78 ITGB3 (0.35) ITGB3ITGA2BMEN1KMT2AKDM4E

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