SCHEMBL8068941

SCHEMBL8068941

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HDAC4 P56524 2/20 0.37
KDM1A O60341 6/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
TACR1 P25103 1/20 0.34
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
CYP2C19 P33261 4/20 0.33
CYP2B6 P20813 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL30597889 0.74 AKR1C3 (0.44) SLC9A1ALDH1A1HDAC4KDM4EMAPT
SCHEMBL4740282 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL12836827 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL4856112 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL4130704 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL871538 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL5816055 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL7050196 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL1224903 0.71 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4KDM1AKDM4E
SCHEMBL25355746 0.69 SLC9A1 (0.54) SLC9A1ALDH1A1HDAC4KDM1AKDM4E

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
US-6096755-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-5908844-A N-substituted azabicycloalkane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed