SCHEMBL30933728

SCHEMBL30933728

CCOc1ccc(OC(F)(F)F)cc1CNC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.49
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
HPGDS O60760 1/20 0.40
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30933801 0.90 TACR1 (0.41) TACR1HPGDSKCNH2CYP2D6EPHX2
SCHEMBL30933830 0.84 MAPK8 (0.45) NPBWR1MCHR1L3MBTL1CYP2D6POLB
Hydrochloric Acid SCHEMBL30933670 0.81 TACR1 (0.55) TACR1NPBWR1MCHR1KCNH2CYP2D6
SCHEMBL30933652 0.79 TACR1 (0.55) TACR1NPBWR1MCHR1KCNH2CYP2D6
SCHEMBL30933703 0.78 CYP1A2 (0.43) NPBWR1MCHR1L3MBTL1CYP2D6ALDH1A1
SCHEMBL4258082 0.77 ADRA2A (0.50) MCHR1EPHX2KDM1AMAOB
SCHEMBL4258087 0.77 ADRA2A (0.50) MCHR1EPHX2KDM1AMAOB
SCHEMBL30933776 0.76 CYP1A2 (0.44) NPBWR1MCHR1L3MBTL1CYP2D6HTR2A
SCHEMBL30933742 0.75 KDM4E (0.46) TACR1KCNH2EPHX2
SCHEMBL30933701 0.74 MAPK8 (0.44) HTR2CHTR2BALDH1A1

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed