SCHEMBL9301097

SCHEMBL9301097

CNC(C1CCN(C(=O)c2cccc(C)c2)CC1)C1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
EPHX2 P34913 1/20 0.50
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
LMNA P02545 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CHRM1 P11229 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL9301234 0.94 HPGD (0.47) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302070 0.85 EPHX2 (0.47) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302730 0.83 EPHX2 (0.51) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302303 0.79 EPHX2 (0.47) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL14003455 0.78 HPGD (0.64) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9301100 0.77 HPGD (0.53) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302354 0.76 EPHX2 (0.45) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL23417314 0.76 HPGD (0.64) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9301438 0.75 ACHE (0.51) LMNAKMT2AALDH1A1MEN1CHRM1
SCHEMBL9551866 0.74 HPGD (0.52) 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