SCHEMBL9301100

SCHEMBL9301100

Cc1cccc(C(=O)N2CCC(CNCC3Cc4ccccc4C3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
EPHX2 P34913 1/20 0.52
HSD11B1 P28845 1/20 0.51
MGLL Q99685 1/20 0.51
LMNA P02545 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL9301240 0.93 HPGD (0.49) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302076 0.85 EPHX2 (0.48) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302740 0.84 EPHX2 (0.53) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9633023 0.80 HPGD (0.54) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9633280 0.80 HPGD (0.64) HPGDEPHX2HSD11B1MGLLLMNA
Hydrochloric Acid SCHEMBL9633058 0.79 HPGD (0.53) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302313 0.79 ADRA1D (0.57) HPGDEPHX2ALDH1A1
SCHEMBL8299183 0.78 FAAH (0.65) HPGDMGLLLMNAKMT2AALDH1A1
SCHEMBL9632968 0.78 HPGD (0.46) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9301097 0.77 HPGD (0.51) HPGDEPHX2HSD11B1MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
JP-5221982-A None JP disclosed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed
JP-H05221982-A DERIVATIVE OF 4-AMINOMETHYLPIPERIDINE, ITS PREPARATION AND ITS APPLICATION FOR TREATMENT PIERRE FABRE MEDICAMENT 1993-08-31 JP disclosed