SCHEMBL8275656

SCHEMBL8275656

NCC(N)C1CCC(C(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
DPP4 P27487 3/20 0.33
DPP9 Q86TI2 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX5 P09917 1/20 0.31
MME P08473 1/20 0.31
ANPEP P15144 1/20 0.31
ENPEP Q07075 1/20 0.31

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
SCHEMBL8897299 0.82 SMN1; SMN2 (0.46) SMN1; SMN2GAADPP4DPP9DPP7
SCHEMBL8275608 0.79 NOS2 (0.54)
SCHEMBL2521429 0.79
SCHEMBL8230638 0.79
SCHEMBL2521432 0.79
SCHEMBL19070475 0.78 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1TDP1KDM4E
SCHEMBL18560541 0.78 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1TDP1KDM4E
SCHEMBL8897294 0.78 SMN1; SMN2 (0.41) SMN1; SMN2GAAPLGPLATLMNA
Hydrochloric Acid SCHEMBL17912464 0.77
SCHEMBL18560525 0.74 SMN1; SMN2 (0.36) SMN1; SMN2GAATDP1KDM4EMAPT

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
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO disclosed