SCHEMBL9302556

SCHEMBL9302556

c1ccc2c(c1)OCC(CNCC1CCNCC1)O2

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.65
ADRA1A P35348 10/20 0.65
ADRA1B P35368 10/20 0.65
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.57
ESR2 Q92731 1/20 0.57
MTNR1A P48039 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL13493621 0.83 ADRA1D (0.65) ADRA1DADRA1AADRA1BALDH1A1HPGD
SCHEMBL17484523 0.82 HTR1A (0.53) ADRA1DADRA1AADRA1BALDH1A1HPGD
SCHEMBL7471573 0.79 ADRA1D (1.00) ADRA1DADRA1AADRA1BALDH1A1HPGD
Hydrochloric Acid SCHEMBL8124825 0.78 ADRA1D (0.98) ADRA1DADRA1AADRA1BALDH1A1HPGD
SCHEMBL9302494 0.77 ADRA1A (0.49) ADRA1DADRA1AADRA1B
SCHEMBL7473727 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1BALDH1A1HPGD
Hydrochloric Acid SCHEMBL8131921 0.76 ADRA1D (0.98) ADRA1DADRA1AADRA1BALDH1A1HPGD
SCHEMBL18358970 0.76 POLB (0.75) ADRA1DADRA1AADRA1BALDH1A1HPGD
SCHEMBL8367125 0.76 POLB (0.75) ADRA1DADRA1AADRA1BALDH1A1HPGD
SCHEMBL9695874 0.76 MTNR1A (0.65) ADRA1AALDH1A1HPGDPOLBESR2

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