SCHEMBL26817271

SCHEMBL26817271

CC(C)c1c(C(F)(F)F)c2cc(CCN3CCCC3)ccc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 4/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH1 P35367 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A3 Q01959 1/20 0.37
ACHE P22303 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
SCHEMBL26817286 0.91 HTR1A (0.37) HRH3HTR1ASIGMAR1
SCHEMBL26817278 0.87 HTR1A (0.36) HTR1ASIGMAR1
SCHEMBL26817280 0.82 MCHR1 (0.40) HRH3SIGMAR1ACHE
SCHEMBL26807679 0.77 DRD2 (0.45) SIGMAR1
SCHEMBL22017134 0.76 ATM (0.38)
SCHEMBL26815145 0.73 AR (0.39)
SCHEMBL26817285 0.73 GRM2 (0.38) HRH3L3MBTL1
SCHEMBL22016170 0.72 KIF11 (0.42) L3MBTL1
SCHEMBL22017359 0.68 KDM4E (0.36)
SCHEMBL26817066 0.66 ALDH1A1 (0.46)

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-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed