SCHEMBL10340387

SCHEMBL10340387

CCCCN(CCC)C1Cc2c[nH]c3ccc(OC)c(c23)C1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.60
HTR1D P28221 8/20 0.51
HTR1B P28222 6/20 0.51
ALDH1A1 P00352 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL11021107 0.98 HTR1A (0.56) HTR1AHTR1DHTR1BALDH1A1CYP2D6
SCHEMBL6890172 0.95 HTR1A (0.65) HTR1AHTR1DHTR1BALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7716614 0.94 HTR1A (0.64) HTR1AHTR1DHTR1BALDH1A1CYP2D6
SCHEMBL9531561 0.90 HTR1A (0.59) HTR1AHTR1DHTR1BALDH1A1CYP2D6
SCHEMBL9776420 0.86 HTR1A (0.53) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9534053 0.86 HTR1A (0.54) HTR1AHTR1DHTR1BALDH1A1CYP2D6
SCHEMBL11019525 0.86 MTNR1A (0.54) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9534014 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9533189 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9356973 0.82 HTR1A (0.66) HTR1AHTR1DHTR1BMTNR1AMTNR1B

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
EP-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP disclosed
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP disclosed