SCHEMBL30933752

SCHEMBL30933752

COCCOc1ccc(OC(F)(F)F)cc1CNC1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
TACR1 P25103 14/20 0.44
KCNH2 Q12809 3/20 0.43
CYP2D6 P10635 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SSTR1 P30872 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
SCHEMBL30933652 0.88 TACR1 (0.55) CARM1PRMT6TACR1KCNH2CYP2D6
Hydrochloric Acid SCHEMBL30933750 0.85 TACR1 (0.44) CARM1PRMT6TACR1KCNH2CYP2D6
SCHEMBL30933655 0.81 HTR2C (0.41) CYP2D6HTR2CHTR2BBCHEACHE
SCHEMBL30933801 0.80 TACR1 (0.41) TACR1KCNH2CYP2D6HTR1AHTR2A
SCHEMBL29227115 0.75 SLC6A5 (0.54) HTR2ABCHEACHEBACE1KDM4E
SCHEMBL30873548 0.75 SLC6A5 (0.54) HTR2ABCHEACHEBACE1KDM4E
Hydrochloric Acid SCHEMBL30933690 0.73 TACR1 (0.47) TACR1KCNH2CYP2D6HTR1AHTR2A
Hydrochloric Acid SCHEMBL30933670 0.73 TACR1 (0.55) CARM1PRMT6TACR1KCNH2CYP2D6
SCHEMBL29227109 0.73 ALDH1A1 (0.47) HTR1AHTR2AHTR2BKDM4EALDH1A1
SCHEMBL30873488 0.73 ALDH1A1 (0.47) HTR1AHTR2AHTR2BKDM4EALDH1A1

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