SCHEMBL9872973

SCHEMBL9872973

CN1C2CCCC1CC(OC(=O)c1cccc3[nH]ccc13)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 9/20 0.66
▸ HTR3E A5X5Y0 5/20 0.66
▸ HTR3B O95264 5/20 0.66
▸ HTR3D Q70Z44 5/20 0.66
▸ HTR3C Q8WXA8 5/20 0.66
▸ CHRNA7 P36544 2/20 0.66
▸ CHRNA1 P02708 1/20 0.66
▸ CHRNG P07510 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ HTR1A P08908 1/20 0.66
▸ CHRM5 P08912 1/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ CHRNB1 P11230 1/20 0.66
▸ CHRNB2 P17787 1/20 0.66
▸ ADRA2B P18089 1/20 0.66
▸ ADRA2C P18825 1/20 0.66
▸ CHRM3 P20309 1/20 0.66
▸ CHRNB4 P30926 1/20 0.66

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
SCHEMBL9871036 0.95 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL18299 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL29930627 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL3953452 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL31061471 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL17766649 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL18297 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL29405651 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL463128 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Tropisetron SCHEMBL7375657 0.79 APEX1 (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C

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-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 — — US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 — — US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 — — US disclosed
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