SCHEMBL9437779

SCHEMBL9437779

CN1C(=O)COc2cc(CCNCCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
HTR2C P28335 3/20 0.49
GABRA1 P14867 1/20 0.46
GABRA5 P31644 1/20 0.46
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
OGA O60502 1/20 0.39
HEXA P06865 1/20 0.39

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
SCHEMBL9437849 0.94 HTR1A (0.48) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437911 0.93 HTR1A (0.49) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437723 0.93 HTR1A (0.52) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437879 0.89 HTR1A (0.52) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437784 0.89 HTR1A (0.54) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437689 0.83 HTR1A (0.50) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437919 0.80 HTR1A (0.46) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437713 0.78 HTR1A (0.45) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437745 0.77 HTR1A (0.49) HTR1AHTR2CGABRA1GABRA5HTR1D
SCHEMBL9437871 0.77 HTR1A (0.49) HTR1AHTR2CGABRA1GABRA5HTR1D

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
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
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed