SCHEMBL8779312

SCHEMBL8779312

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCc2cccc(C(F)(F)F)c2)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MRGPRX4 Q96LA9 5/20 0.42
MAOB P27338 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC1A5 Q15758 1/20 0.41
NR4A2 P43354 2/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
NR3C2 P08235 1/20 0.40
PPIA P62937 1/20 0.39
HTR6 P50406 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
SCHEMBL8779260 0.92 MME (0.39) L3MBTL1ALDH1A1GAAMRGPRX4PTPN1
SCHEMBL8779316 0.90 MME (0.39) MAOBPTPN1NR3C2PPIA
SCHEMBL8779269 0.86 L3MBTL1 (0.46) L3MBTL1ALDH1A1GAAMAPTHTT
SCHEMBL8779198 0.85 LTA4H (0.46) L3MBTL1ALDH1A1MAPT
SCHEMBL8882204 0.85 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAAMAPTHTT
SCHEMBL8779232 0.82 GSK3B (0.39) ALDH1A1MAPT
SCHEMBL8779153 0.82 CARM1 (0.40) L3MBTL1ALDH1A1MAPTSLC1A5
SCHEMBL8779265 0.81 TRPV1 (0.38) MRGPRX4
SCHEMBL8779134 0.81 CARM1 (0.38) L3MBTL1ALDH1A1HTT
SCHEMBL8779192 0.80 KDM4E (0.39) L3MBTL1ALDH1A1MRGPRX4MAOBSLC1A5

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed