SCHEMBL8565965

SCHEMBL8565965

C(=C/c1ccccc1)\CN1CCN(c2nc3cccnc3n3cccc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.72
HTR2C P28335 10/20 0.72
HTR3E A5X5Y0 15/20 0.69
HTR3B O95264 15/20 0.69
HTR3A P46098 15/20 0.69
HTR3D Q70Z44 15/20 0.69
HTR3C Q8WXA8 15/20 0.69

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
SCHEMBL8565970 1.00 HTR1A (0.72) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8570434 0.87 HTR2C (0.74) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8878905 0.87 HTR2C (0.74) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8567602 0.84 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8565127 0.82 HTR3E (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8564159 0.80 HTR3E (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8566532 0.78 HTR3E (0.76) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8563997 0.77 HTR3E (0.78) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8562660 0.77 HTR3E (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8569998 0.75 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A

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
EP-0623620-B1 5-HT3 Pyrrolopyrazine derivatives ADIR (FR) 1998-09-09 EP disclosed
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed