SCHEMBL9519631

SCHEMBL9519631

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
GAA P10253 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
SCHEMBL9520697 0.92 DPP8 (0.46) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL9519874 0.88 RAB9A (0.39) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL9518914 0.87 TDP1 (0.40) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL9520673 0.86 ECE1 (0.37) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL9794972 0.86 TDP1 (0.39) RAB9ANPC1TDP1ALDH1A1MAPT
SCHEMBL9519480 0.86 RAB9A (0.40) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL9519207 0.86 CYP19A1 (0.37) DPP8DPP9TDP1ALDH1A1MAPT
SCHEMBL9520780 0.86 DPP8 (0.36) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL9519405 0.85 DPP8 (0.40) DPP8DPP9RAB9ANPC1TDP1
SCHEMBL10370916 0.85 RAB9A (0.42) DPP8DPP9RAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 EP disclosed
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed