SCHEMBL22368478

SCHEMBL22368478

C=CCN1C[C@@H]2C[C@@H](NOCc3ccccc3)CN[C@@H]2C1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.35
TGM2 P21980 2/20 0.33
ACHE P22303 1/20 0.32
APOBEC3G Q9HC16 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
EPHX2 P34913 1/20 0.30
F13A1 P00488 1/20 0.30
TGM1 P22735 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 0.76 TGM2 (0.33) BCHETGM2APOBEC3GEPHX2F13A1
SCHEMBL22368477 0.76 TGM2 (0.33) BCHETGM2APOBEC3GEPHX2F13A1
SCHEMBL15107121 0.68 DPP8 (0.41) BCHETGM2EPHX2
SCHEMBL21362364 0.68 BCHE (0.38) BCHE
SCHEMBL3662286 0.67 DPP8 (0.45) EPHX2
SCHEMBL20009183 0.64 BACE1 (0.36) EPHX2
SCHEMBL993500 0.64 TSHR (0.41) TGM2
SCHEMBL993504 0.64 TSHR (0.41) TGM2
SCHEMBL993502 0.64 TSHR (0.41) TGM2
SCHEMBL994656 0.63 TSHR (0.38) BCHETGM2

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