SCHEMBL4776240

SCHEMBL4776240

NCCc1cn(OC(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR6 P50406 15/20 0.44
IDO1 P14902 1/20 0.43
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MCL1 Q07820 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
SCHEMBL25345505 0.82 HTR2A (0.55) HTR2AHTR6SCN9A
SCHEMBL28638911 0.80 HTR2A (0.49) HTR2AHTR6SCN9A
SCHEMBL3865396 0.79 HTR2A (0.51) HTR2AHTR6SCN9A
SCHEMBL28650498 0.77 HTR2A (0.46) HTR2AHTR6SCN9AKDM4E
Methyl Carbamate SCHEMBL6828082 0.75 HTR2A (0.52) HTR2AHTR6SCN9AKDM4E
SCHEMBL21333617 0.75 HTR2A (0.55) HTR2AHTR6SCN9A
SCHEMBL2243379 0.74 HTR2A (0.63) HTR2AHTR6SCN9A
SCHEMBL26185613 0.73 HTR2A (0.54) HTR2AHTR6SCN9A
Hydrochloric Acid SCHEMBL28126599 0.73 HTR2A (0.61) HTR2AHTR6SCN9A
SCHEMBL2533929 0.72 HTR6 (0.40) HTR2AHTR6SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779140-B Compounds and methods for synthesizing 5- (N-protected tryptophanyl carboxamide) -2' -deoxyuridine phosphoramidites for incorporation into nucleic acid sequences 私募蛋白质体操作有限公司 2022-04-12 CN disclosed
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed