SCHEMBL9534053

SCHEMBL9534053

CCCN(CC#N)C1Cc2c[nH]c3ccc(OC)c(c23)C1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
HTR1D P28221 9/20 0.51
HTR1B P28222 7/20 0.51
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6890172 0.90 HTR1A (0.65) HTR1AHTR1DHTR1BMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7716614 0.89 HTR1A (0.64) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL10340387 0.86 HTR1A (0.60) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9531561 0.85 HTR1A (0.59) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL11021107 0.84 HTR1A (0.56) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL11019525 0.83 MTNR1A (0.54) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9534014 0.80 HTR1A (0.56) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9533189 0.79 HTR1A (0.55) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9535224 0.79 HTR1D (0.45) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL7206145 0.79 HTR1A (0.65) HTR1AHTR1DHTR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332968-B1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1993-06-02 EP disclosed
US-5021438-A Having affinity for 5-hydroxytryptamine receptors; treating central nervous system and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0332968-A1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1989-09-20 EP disclosed