SCHEMBL9520458

SCHEMBL9520458

O=C(NCCOC[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
GAA P10253 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL9520697 0.91 DPP8 (0.46) DPP8DPP9LMNASMN1; SMN2TGM2
SCHEMBL9519366 0.87 DPP8 (0.42) DPP8DPP9LMNASMN1; SMN2TGM2
SCHEMBL9520887 0.87 TDP1 (0.39) DPP8DPP9LMNATDP1POLB
SCHEMBL9520274 0.86 DPP8 (0.42) DPP8DPP9LMNASMN1; SMN2TGM2
SCHEMBL9520708 0.85 DPP8 (0.46) DPP8DPP9TGM2TDP1POLB
SCHEMBL7852642 0.84 CYP2C9 (0.41) DPP8DPP9SMN1; SMN2MAPTMEN1
SCHEMBL9519940 0.84 TDP1 (0.42) TDP1POLBALDH1A1MAPTATM
SCHEMBL7852750 0.83 DPP8 (0.43) DPP8DPP9TGM2TDP1POLB
SCHEMBL9521316 0.83 TDP1 (0.39) DPP8DPP9LMNATDP1POLB
SCHEMBL9519631 0.83 DPP8 (0.40) DPP8DPP9TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed