SCHEMBL28519958

SCHEMBL28519958

CC1(c2c[nH]c3cccc(F)c23)CCCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SLC6A4 P31645 2/20 0.39
HTR2A P28223 5/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
HTR1A P08908 2/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
DRD4 P21917 1/20 0.31
EGFR P00533 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL28527012 0.84 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AHTR7
SCHEMBL28520458 0.77 CYP2D6 (0.41) GPR84SLC6A4
SCHEMBL28783300 0.73 KDM4E (0.40) SLC6A4
SCHEMBL28528721 0.73 GPR84 (0.41) GPR84SLC6A4HTR2AALKBH5FTO
SCHEMBL28524815 0.68 DYRK1A (0.39) SLC6A4
SCHEMBL28519480 0.66 HTR2A (0.42) HTR2AFTOHTR6
SCHEMBL6640448 0.64 SLC6A4 (0.52) FFAR1GPR84SLC6A4HTR2AHTR2C
SCHEMBL27779713 0.64 SLC6A4 (0.59) FFAR1GPR84SLC6A4HTR2AHTR2C
SCHEMBL12120939 0.64 GPR84 (0.58) FFAR1GPR84SLC6A4HTR2AHTR2C
SCHEMBL19104226 0.63 GPR84 (0.53) FFAR1GPR84SLC6A4HTR2AHTR2C

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-109912579-B Preparation method of 2, 2-disubstituted tetrahydrofuran derivative 华中科技大学 2021-01-08 CN disclosed