SCHEMBL8522360

SCHEMBL8522360

NCCCC(=O)C1(N)CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
GRM1 Q13255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
MAOB P27338 1/20 0.37
HTR2A P28223 2/20 0.36
HRH1 P35367 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL7401614 0.84 KDM4E (0.42) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL2465116 0.84 SIGMAR1 (0.40) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL6275446 0.80 KDM4E (0.41) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL7452148 0.80 KDM4E (0.41) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL8522929 0.78 KDM4E (0.42) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL197942 0.76 KDM4E (0.61) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL197940 0.76 KDM4E (0.61) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL29380732 0.76 KDM4E (0.61) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL197941 0.76 KDM4E (0.61) KDM1AKDM4EMAPTCYP2C19ALDH1A1
SCHEMBL29677121 0.76 KDM4E (0.45) KDM1AKDM4EMAPTCYP2C19ALDH1A1

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-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed