SCHEMBL22368477

SCHEMBL22368477

C=CCN1CC2CC(NOCc3ccccc3)CNC2C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
FAAH O00519 4/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SETDB1 Q15047 1/20 0.32
BCHE P06276 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
EPHX2 P34913 1/20 0.30
ELANE P08246 1/20 0.30
F13A1 P00488 1/20 0.30
TGM1 P22735 1/20 0.30
ALOX15 P16050 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL19990678 1.00 TGM2 (0.33) TGM2SIRT1SIRT5FAAHMGLL
SCHEMBL20009183 0.84 BACE1 (0.36) EPHX2
SCHEMBL19990782 0.78 DUT (0.31)
SCHEMBL22368478 0.76 BCHE (0.35) TGM2BCHEAPOBEC3GEPHX2F13A1
SCHEMBL22368498 0.74 GLA (0.38) EPHX2LMNA
SCHEMBL19990602 0.74 GLA (0.38) EPHX2LMNA
SCHEMBL22368492 0.70 KMT2A (0.36) ALDH1A1LMNA
SCHEMBL15107121 0.68 DPP8 (0.41) TGM2FAAHBCHEALDH1A1EPHX2
SCHEMBL21362364 0.68 BCHE (0.38) BCHEALDH1A1GAA
SCHEMBL3662286 0.67 DPP8 (0.45) ALDH1A1GAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 EP disclosed
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 EP disclosed