SCHEMBL9302354

SCHEMBL9302354

CNC(C1CCN(C(=O)c2cccc(C)c2)CC1)C1CSc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CHRM1 P11229 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA5 P31644 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
SCHEMBL9301418 0.91 ACHE (0.43) EPHX2LMNAKMT2AMEN1ALDH1A1
SCHEMBL9302183 0.90 CYP2D6 (0.44) UBE2MDCUN1D1HSD11B1MGLLKMT2A
SCHEMBL9301890 0.89 L3MBTL1 (0.46) HPGDLMNAUBE2MDCUN1D1HSD11B1
SCHEMBL9302303 0.84 EPHX2 (0.47) EPHX2HPGDLMNAUBE2MDCUN1D1
SCHEMBL9302070 0.84 EPHX2 (0.47) EPHX2HPGDLMNAUBE2MDCUN1D1
SCHEMBL9302730 0.83 EPHX2 (0.51) EPHX2HPGDLMNAUBE2MDCUN1D1
SCHEMBL9301877 0.80 BACE1 (0.43) LMNADCUN1D1KMT2AMEN1CHRM1
SCHEMBL9302364 0.77 EPHX2 (0.46) EPHX2HPGDLMNAUBE2MDCUN1D1
SCHEMBL9301097 0.76 HPGD (0.51) EPHX2HPGDLMNAUBE2MDCUN1D1
SCHEMBL9301986 0.74 CYP2D6 (0.46) UBE2MDCUN1D1HSD11B1MGLLKMT2A

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
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed