SCHEMBL8694353

SCHEMBL8694353

N=C(N)c1ccc(CN[C@@H](C=O)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.47
TPSAB1 Q15661 1/20 0.45
TMPRSS6 Q8IU80 4/20 0.45
MASP2 O00187 1/20 0.45
TMPRSS11D O60235 2/20 0.45
PROC P04070 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
CAPN1 P07384 1/20 0.43
F7 P08709 1/20 0.43
KLKB1 P03952 1/20 0.42
ACE P12821 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42

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
SCHEMBL5028604 0.84 SIGMAR1 (0.53) CAPN1ACE
SCHEMBL24288430 0.84 SIGMAR1 (0.53) CAPN1ACE
SCHEMBL27467679 0.80 CAPN1 (0.42) F2ITGB3ITGA2BCAPN1F7
SCHEMBL7170752 0.75 CAPN1 (0.54) CAPN1ACE
SCHEMBL7170754 0.75 CAPN1 (0.54) CAPN1ACE
SCHEMBL16372685 0.73 ADH1B (0.47) CAPN1ACE
SCHEMBL18494852 0.73 ACE (0.49) CAPN1ACE
SCHEMBL8245648 0.73 ADH1B (0.47) CAPN1ACE
SCHEMBL7450129 0.71 PRSS1 (0.50) F2TMPRSS6MASP2ITGB3ITGA2B
SCHEMBL7140360 0.71 PRSS1 (0.50) F2TMPRSS6MASP2ITGB3ITGA2B

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-5705487-A PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-01-06 US claimed