SCHEMBL9301240

SCHEMBL9301240

Cc1cccc(C(=O)N2CCC(CNCC3CCc4ccccc4C3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
EPHX2 P34913 1/20 0.48
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY1R P25929 2/20 0.44
NPY5R Q15761 2/20 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
SCHEMBL9301100 0.93 HPGD (0.53) HPGDEPHX2HSD11B1MGLLHTT
SCHEMBL9302076 0.82 EPHX2 (0.48) HPGDEPHX2HSD11B1MGLLLMNA
SCHEMBL9302740 0.81 EPHX2 (0.53) HPGDEPHX2HSD11B1MGLLHTT
SCHEMBL9632968 0.78 HPGD (0.46) HPGDEPHX2HSD11B1MGLLHTT
SCHEMBL9303177 0.78 CXCR4 (0.60)
SCHEMBL10415612 0.77 THRB (0.56) HPGDHSD11B1MGLLLMNAALDH1A1
SCHEMBL9301234 0.77 HPGD (0.47) HPGDEPHX2HSD11B1MGLLHTT
Hydrochloric Acid SCHEMBL9490544 0.77 NAMPT (0.54) EPHX2
SCHEMBL9633023 0.77 HPGD (0.54) HPGDEPHX2HSD11B1MGLLHTT
SCHEMBL9633280 0.76 HPGD (0.64) HPGDEPHX2HSD11B1MGLLHTT

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