SCHEMBL7304020

SCHEMBL7304020

CCOC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
SIGMAR1 Q99720 7/20 0.40
TMEM97 Q5BJF2 6/20 0.40
SLC6A2 P23975 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM1 P11229 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PRSS1 P07477 6/20 0.40
PRSS2 P07478 6/20 0.40
PRSS3 P35030 6/20 0.40
F10 P00742 3/20 0.40
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39

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
SCHEMBL7309414 0.93 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1TMEM97SLC6A2
SCHEMBL7313901 0.92 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601284 0.91 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1TMEM97SLC6A2
SCHEMBL6601240 0.91 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1TMEM97SLC6A2
SCHEMBL7314890 0.91 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7308012 0.90 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7309758 0.89 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7308688 0.88 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639220 0.87 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1TMEM97SLC6A2
SCHEMBL6605489 0.87 ITGB3 (0.60) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed