SCHEMBL8612841

SCHEMBL8612841

NCC(Cc1ccc(Cl)cc1)NCc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
PPARA Q07869 1/20 0.42
EPHX2 P34913 8/20 0.41
CNR2 P34972 1/20 0.40
CNR1 P21554 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL8588129 0.87 EPHX2 (0.44) PPARGEPHX2
SCHEMBL8589579 0.83 KMT2A (0.50) PPARGPPARAALDH1A1ATMLMNA
SCHEMBL8590699 0.82 MC5R (0.42) PPARGEPHX2MAOBKDM4EALDH1A1
SCHEMBL8586939 0.82 LMNA (0.52) LMNA
SCHEMBL8588116 0.79 CYP1A2 (0.42) ALDH1A1
SCHEMBL8587466 0.79 KCNH2 (0.56) PPARGPPARACNR2CNR1ALDH1A1
SCHEMBL8587877 0.78 ACP3 (0.42) KDM4EALDH1A1
SCHEMBL8585890 0.78 DPP7 (0.53) ATM
SCHEMBL8588727 0.77 SLC6A4 (0.48)
SCHEMBL8588991 0.77 KMT2A (0.39) MAOBKDM4E

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-1998052890-A1 3-ARYLPROPYLAMINO NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-11-26 WO disclosed