SCHEMBL9670638

SCHEMBL9670638

[CH2]C(N)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
RAB9A P51151 2/20 0.55
HTR2A P28223 1/20 0.51
AKR1C3 P42330 1/20 0.50
HTT P42858 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL11206285 0.86 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL11396185 0.85 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL10500167 0.83 IDO1 (0.54) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL9782567 0.82 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL9820376 0.82 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL28203842 0.82 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL6400055 0.82 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL11383886 0.82 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL5724349 0.82 HTR2A (0.55) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL8247254 0.81 HTR2A (0.60) IDO1RAB9AHTR2AAKR1C3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237027-B1 6-(DISUBSTITUTED AMINO) CARBAPENAM COMPOUNDS Sanraku Incorporated (JP) 1992-06-10 EP disclosed
US-4996314-A 6-(disubstituted amino)carbapenem compounds SANRAKU INCORPORATED (JP) 1991-02-26 US disclosed
US-4812563-A ANTIBIOTICS SANRAKU INCORPORATED (JP) 1989-03-14 US disclosed
EP-0237027-A2 6-(Disubstituted amino) carbapenam compounds Sanraku Incorporated (JP) 1987-09-16 EP disclosed
EP-0105227-A1 Process for producing beta-lactam compounds, and intermediates useful for their production Sanraku Incorporated (JP) 1984-04-11 EP disclosed
EP-0005348-B1 CARBAPENEM DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-09-22 EP disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 EP disclosed