SCHEMBL31590771

SCHEMBL31590771

O=C(O)N1CCN(c2ccc(-c3ccc(F)cc3F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.61
TDO2 P48775 3/20 0.51
KDM4E B2RXH2 4/20 0.50
FAAH O00519 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45
RET P07949 1/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
CNR2 P34972 1/20 0.43
PKM P14618 2/20 0.43
GRIN2B Q13224 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL31589999 0.89 MGLL (0.63) MGLLTDO2RETME2ME1
SCHEMBL31589397 0.87 HTR1A (0.52) MGLLTDO2KDM4EALDH1A1ME2
SCHEMBL31589274 0.84 MGLL (0.53) MGLLTDO2KDM4ERETME2
SCHEMBL20141494 0.83 HRH3 (0.53) KDM4ELMNAME2ME1ME3
SCHEMBL13136636 0.80 CNR2 (0.66) MGLLTDO2ALDH1A1RAB9ACNR2
SCHEMBL31589940 0.80 MGLL (0.63) MGLLRETCNR2GRIN2B
SCHEMBL13136635 0.79 HRH3 (0.52) MGLLTDO2RETCNR2
SCHEMBL5236075 0.79 CNR2 (0.54) MGLLKDM4EALDH1A1RETME2
SCHEMBL31589343 0.78 CNR2 (0.44) MGLLTDO2RETCNR2
SCHEMBL3442393 0.78 MGLL (0.58) MGLLALDH1A1LMNAME2ME1

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
CN-120040416-A Piperazine amide skeleton compound and application thereof 中国药科大学 2025-05-27 CN disclosed