SCHEMBL8933085

SCHEMBL8933085

N=C(N)c1ccc(C(N)=O)cn1.O=C(O)[C@@H]1CCCN1C(=O)C(O)C1CCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
DGAT1 O75907 2/20 0.37
PRSS1 P07477 1/20 0.37
TMPRSS15 P98073 1/20 0.37
ADRA1A P35348 1/20 0.36
LTA4H P09960 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 2/20 0.35
F2 P00734 1/20 0.35
ACE P12821 1/20 0.34

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
SCHEMBL6477139 0.81 F2 (0.47) PRSS1F2
SCHEMBL8723763 0.78 PRSS1 (0.42) DGAT1PRSS1TMPRSS15ALDH1A1F2
SCHEMBL6475958 0.75 F2 (0.62) F2
SCHEMBL6484948 0.74 DPP4 (0.40) DGAT1ALDH1A1
SCHEMBL6484032 0.73 PRSS1 (0.38) DGAT1PRSS1TMPRSS15LTA4HALDH1A1
SCHEMBL7702747 0.72 DGAT1 (0.39) DGAT1PRSS1TMPRSS15ALDH1A1F2
SCHEMBL8722619 0.71 F2 (0.40) DGAT1F2
SCHEMBL6476434 0.71 OPRM1 (0.46) DGAT1PRSS1TMPRSS15ALDH1A1F2
SCHEMBL8725887 0.70 F2 (0.40) PRSS1F2
SCHEMBL7705659 0.65 F2 (0.33) DGAT1PRSS1TMPRSS15ALDH1A1F2

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
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed