SCHEMBL9302076

SCHEMBL9302076

Cc1cccc(C(=O)N2CCC(CNCC3Cc4ccccc4O3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
HPGD P15428 2/20 0.46
HSD11B1 P28845 1/20 0.44
MGLL Q99685 1/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.41

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 0.86 ADRA1D (0.57) EPHX2HPGDALDH1A1ADRA1DADRA1A
SCHEMBL9302740 0.86 EPHX2 (0.53) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301100 0.85 HPGD (0.53) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9302364 0.84 EPHX2 (0.46) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301240 0.82 HPGD (0.49) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL8045655 0.78 HPGD (0.48) HPGDKMT2AALDH1A1MEN1GPBAR1
SCHEMBL8035576 0.76 HPGD (0.47) HPGDKMT2AMEN1
SCHEMBL9302070 0.76 EPHX2 (0.47) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301303 0.75 ADRA1D (0.56) EPHX2HPGDHSD11B1MGLLALDH1A1
SCHEMBL9301300 0.75 ADRA1D (0.60) HPGDALDH1A1ADRA1DADRA1AADRA1B

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