SCHEMBL9437808

SCHEMBL9437808

CN1C(=O)COc2cc(CCCCNCCCCN3C(=O)CC4(CCCCC4)C3=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
HTR2C P28335 3/20 0.44
HTR1B P28222 3/20 0.37
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
HTR2A P28223 2/20 0.37
NMT1 P30419 2/20 0.37
HTR1D P28221 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL9437710 0.96 HTR1A (0.42) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437862 0.86 HTR1A (0.43) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437888 0.85 HTR1A (0.49) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437801 0.83 HTR1A (0.40) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437950 0.81 HTR1A (0.45) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437773 0.80 HTR1A (0.48) HTR1AHTR2CHTR1BNMT1HTR1D
SCHEMBL9437719 0.80 HTR1A (0.52) HTR1AHTR2CHTR1BDRD2HTR2A
SCHEMBL9437784 0.79 HTR1A (0.54) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437815 0.79 PARP1 (0.45) HTR1AHTR1BDRD2DRD1HTR2A
SCHEMBL9437802 0.78 HTR1A (0.49) HTR1AHTR2CHTR1BDRD2HTR2A

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-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed