SCHEMBL28087950

SCHEMBL28087950

CCC1COC(c2cccc3ccccc23)(c2cccc3ccccc23)OC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.40
SLC6A3 Q01959 9/20 0.40
SLC6A2 P23975 7/20 0.40
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
HTR2B P41595 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
DRD2 P14416 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL28087938 0.84 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2HTR1AHTR7
SCHEMBL19251049 0.72 ADRA1A (0.44) HTR1A
SCHEMBL7464714 0.68 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2MEN1MAPT
SCHEMBL7052313 0.66 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2HTR1AKDM4E
SCHEMBL576003 0.66 SLC6A3 (0.36) SLC6A4SLC6A3SLC6A2HTR1AHTR7
SCHEMBL14216995 0.66 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2HTR1AHTR7
SCHEMBL699648 0.65 ALDH1A1 (0.45) MEN1MAPTKMT2AKDM4ENPSR1
SCHEMBL11742168 0.65 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2MEN1MAPT
SCHEMBL28066450 0.63 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2MEN1MAPT
SCHEMBL29137626 0.63 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2MEN1MAPT

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
CN-104311531-B A kind of 2,5-dinaphthyl alkane derivatives and preparation method thereof 山东盛华电子新材料有限公司 2016-08-24 CN claimed