SCHEMBL7299090

SCHEMBL7299090

c1cc2c(N3CCNCC3)nc3ccsc3n2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 1.00
HTR2C P28335 16/20 1.00
HTR3E A5X5Y0 3/20 1.00
HTR3B O95264 3/20 1.00
HTR3A P46098 3/20 1.00
HTR3D Q70Z44 3/20 1.00
HTR3C Q8WXA8 3/20 1.00

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
SCHEMBL7301139 0.95 HTR1A (0.91) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7305667 0.86 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7297117 0.83 HTR1A (0.80) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7302550 0.81 HTR1A (0.70) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7296725 0.80 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7303793 0.80 HTR1A (0.79) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7293903 0.79 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7297168 0.79 HTR1A (0.68) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7306002 0.79 HTR1A (0.72) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7297121 0.78 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573360-B1 Pyrrolothienopyrazine compounds as 5-HT3 receptors antagonists ADIR (FR) 1998-08-26 EP claimed
EP-0573360-A1 Pyrrolothienopyrazine compounds as 5-HT3 receptors antagonists ADIR ET COMPAGNIE (FR) 1993-12-08 EP claimed
EP-0573360-B1 Pyrrolothienopyrazine compounds as 5-HT3 receptors antagonists ADIR (FR) 1998-08-26 EP disclosed
EP-0573360-A1 Pyrrolothienopyrazine compounds as 5-HT3 receptors antagonists ADIR ET COMPAGNIE (FR) 1993-12-08 EP disclosed