SCHEMBL9302313

SCHEMBL9302313

Cc1cccc(C(=O)N2CCC(CNCC3COc4ccccc4O3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.57
ADRA1A P35348 11/20 0.57
ADRA1B P35368 11/20 0.57
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.48
MTNR1A P48039 1/20 0.47

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
SCHEMBL9301300 0.89 ADRA1D (0.60) ADRA1DADRA1AADRA1BHPGDRAB9A
SCHEMBL9301407 0.89 ADRA1D (0.68) ADRA1DADRA1AADRA1BHPGDNPC1
SCHEMBL9302003 0.88 ADRA1D (0.60) ADRA1DADRA1AADRA1BHPGDNPC1
SCHEMBL9302740 0.88 EPHX2 (0.53) HPGDALDH1A1EPHX2
SCHEMBL9302076 0.86 EPHX2 (0.48) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9301625 0.86 ADRA1D (0.54) ADRA1DADRA1AADRA1BHPGD
SCHEMBL9301303 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BHPGDALDH1A1
SCHEMBL9301815 0.84 ADRA1D (0.63) ADRA1DADRA1AADRA1B
SCHEMBL9302364 0.84 EPHX2 (0.46) ADRA1AHPGDALDH1A1EPHX2
SCHEMBL9303150 0.80 ADRA1D (0.59) ADRA1DADRA1AADRA1BALDH1A1

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