SCHEMBL3661622

SCHEMBL3661622

CC(O)C(Cl)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
TMEM97 Q5BJF2 4/20 0.54
KCNH2 Q12809 3/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
TRPV3 Q8NET8 5/20 0.44
LSS P48449 1/20 0.40
IDO1 P14902 1/20 0.40
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.39
DNM1 Q05193 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL3966029 0.80 CYP2C19 (0.54) TMEM97KCNH2MEN1KMT2A
SCHEMBL9781250 0.79 ALDH1A1 (0.69) ALDH1A1TMEM97KCNH2MEN1KMT2A
SCHEMBL3966026 0.78 SIGMAR1 (0.53) ALDH1A1MEN1KMT2AIDO1
SCHEMBL3099211 0.78 SIGMAR1 (0.53) ALDH1A1MEN1KMT2AIDO1
SCHEMBL6354279 0.75 ALDH1A1 (0.63) ALDH1A1TMEM97KCNH2MEN1KMT2A
SCHEMBL18893310 0.75 ALDH1A1 (0.73) ALDH1A1TMEM97KCNH2MEN1KMT2A
SCHEMBL6235327 0.74 ALDH1A1 (0.58) ALDH1A1TMEM97KCNH2MEN1KMT2A
SCHEMBL12954738 0.73 ALDH1A1 (0.71) ALDH1A1TMEM97KCNH2MEN1KMT2A
SCHEMBL14731813 0.72 TMEM97 (0.86) ALDH1A1TMEM97KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL5967318 0.72 ALDH1A1 (0.55) ALDH1A1TMEM97KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed