SCHEMBL5793048

SCHEMBL5793048

C[C@H](N[C@H]1C=CC[C@@H](c2ccccc2)N(C)C1=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
RIPK1 Q13546 4/20 0.36
HDAC4 P56524 1/20 0.35
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TSHR P16473 1/20 0.31
EPHX2 P34913 1/20 0.31
BCL2 P10415 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
SCHEMBL5793810 1.00 KDM1A (0.47) KDM1ARIPK1HDAC4OPRK1ALDH1A1
SCHEMBL5792454 0.81 XIAP (0.42) RIPK1HDAC4OPRK1ALDH1A1ATM
SCHEMBL5793050 0.81 XIAP (0.42) RIPK1HDAC4OPRK1ALDH1A1ATM
SCHEMBL5795121 0.81 XIAP (0.42) RIPK1HDAC4OPRK1ALDH1A1ATM
SCHEMBL5791886 0.77 KDM1A (0.47) KDM1AHDAC4OPRK1SMN1; SMN2EPHX2
SCHEMBL5790344 0.76 KDM1A (0.49) KDM1AOPRK1EPHX2
SCHEMBL5790662 0.76 KDM1A (0.49) KDM1AOPRK1EPHX2
SCHEMBL5791943 0.75 KDM1A (0.48) KDM1AHDAC4
SCHEMBL5794477 0.75 KDM1A (0.48) KDM1AHDAC4
SCHEMBL5794903 0.74 KDM1A (0.53) KDM1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed