SCHEMBL9302740

SCHEMBL9302740

Cc1cccc(C(=O)N2CCC(CNCC3Oc4ccccc4O3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
HPGD P15428 2/20 0.51
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9302313 0.88 ADRA1D (0.57) EPHX2HPGDALDH1A1
SCHEMBL9302076 0.86 EPHX2 (0.48) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301100 0.84 HPGD (0.53) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9302364 0.83 EPHX2 (0.46) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301240 0.81 HPGD (0.49) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301871 0.79 CXCR4 (0.61) KMT2AMEN1LMNA
SCHEMBL9633280 0.78 HPGD (0.64) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL8299183 0.76 FAAH (0.65) HPGDMGLLKMT2AMEN1LMNA
SCHEMBL9302730 0.76 EPHX2 (0.51) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301303 0.76 ADRA1D (0.56) EPHX2HPGDHSD11B1MGLLALDH1A1

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