SCHEMBL7408263

SCHEMBL7408263

CN(C)CC1CCc2[nH]c3ccccc3c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HTR6 P50406 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.42
METAP1 P53582 2/20 0.40
HSP90AA1 P07900 2/20 0.39
MITF O75030 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
CCR6 P51684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL7433749 0.91 HTR6 (0.51) KMT2AHTR6TP53HPGDHSD17B10
Iodide SCHEMBL7405172 0.81 HPGD (0.41) KMT2ATP53HPGDHSD17B10SLC2A1
SCHEMBL23817282 0.79 TP53 (0.40) KMT2ATP53HPGDHSD17B10SLC2A1
SCHEMBL23817260 0.78 NR2E1 (0.41) KMT2ATP53HPGDHSD17B10SLC2A1
SCHEMBL9597484 0.77 HTR3A (0.39) TP53HPGDHSD17B10SLC2A1NR2E1
SCHEMBL12187142 0.76 HTR2B (0.37) KMT2AHTR6TP53HPGDHSD17B10
SCHEMBL9872031 0.75 METAP1 (0.39) KMT2AHTR6HPGDMETAP1KDM4E
SCHEMBL9603271 0.75 HTR3A (0.38) TP53HPGDHSD17B10SLC2A1
SCHEMBL7433024 0.74 METAP1 (0.40) HTR6METAP1HSP90AA1MITFCCR6
SCHEMBL3994101 0.73 CYP3A4 (0.62) TP53HPGDHSD17B10SLC2A1KDM4E

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-0191562-B1 TETRAHYDROCARBAZOLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-07-10 EP disclosed
US-4695578-A 1,2,3,9-tetrahydro-3-imidazol-1-ylmethyl-4H-carbazol-4-ones, composition containing them, and method of using them to treat neuronal 5HT function disturbances GLAXO GROUP LIMITED (GB) 1987-09-22 US disclosed
EP-0191562-A2 Tetrahydrocarbazolone derivatives GLAXO GROUP LIMITED (GB) 1986-08-20 EP disclosed