SCHEMBL20096281

SCHEMBL20096281

CN(C)[C@H]1CC[C@H](c2ccccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.49
HTR1A P08908 4/20 0.41
HTR7 P34969 3/20 0.41
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
HTR2A P28223 5/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRM2 Q14416 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL20096202 1.00 SLC6A4 (0.49) SLC6A4HTR1AHTR7KDM1AKDM1B
SCHEMBL434606 0.84 KDM1A (0.52) SLC6A4HTR1AKDM1AKDM1BHTR2C
SCHEMBL11920714 0.79 KDM1A (0.44) SLC6A4HTR1AKDM1AKDM1BHTR2C
SCHEMBL10091165 0.79 KDM1A (0.44) SLC6A4HTR1AKDM1AKDM1BHTR2C
Acetaldehyde SCHEMBL27752382 0.77 KDM1A (0.42) SLC6A4HTR1AKDM1AKDM1BHTR2C
Acetone SCHEMBL27752381 0.77 DRD4 (0.45) KDM1AKDM1BKDM4EGAA
SCHEMBL434672 0.76 KDM4E (0.50) SLC6A4HTR1AKDM1AKDM1BHTR2C
SCHEMBL316350 0.76 KDM4E (0.55) SLC6A4HTR1AKDM1AKDM1BHTR2C
SCHEMBL22321329 0.75 KDM4E (0.46) SLC6A4HTR1AKDM1AKDM1BHTR2C
SCHEMBL22321328 0.75 KDM4E (0.46) SLC6A4HTR1AKDM1AKDM1BHTR2C

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed