SCHEMBL9437784

SCHEMBL9437784

CN1C(=O)COc2cc(CCCCNCCCCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
HTR2C P28335 2/20 0.49
ACHE P22303 9/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL9437879 0.98 HTR1A (0.52) HTR1AHTR2CACHETDP1L3MBTL1
SCHEMBL9437723 0.96 HTR1A (0.52) HTR1AHTR2CACHEGABRA1GABRA5
SCHEMBL9437911 0.96 HTR1A (0.49) HTR1AHTR2CACHEGABRA1GABRA5
SCHEMBL9437849 0.93 HTR1A (0.48) HTR1AHTR2CACHEGABRA1GABRA5
SCHEMBL9437779 0.89 HTR1A (0.49) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437720 0.85 HTR1A (0.51) HTR1AHTR2CACHETDP1L3MBTL1
SCHEMBL9437773 0.84 HTR1A (0.48) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437719 0.84 HTR1A (0.52) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437888 0.84 HTR1A (0.49) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437871 0.83 HTR1A (0.49) HTR1AHTR2CACHETDP1L3MBTL1

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