SCHEMBL7303868

SCHEMBL7303868

c1ccc(CN2CCN(c3nc4scc(-c5ccccc5)c4n4cccc34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 1.00
HTR2C P28335 9/20 1.00
HTR3E A5X5Y0 12/20 0.66
HTR3B O95264 12/20 0.66
HTR3A P46098 12/20 0.66
HTR3D Q70Z44 12/20 0.66
HTR3C Q8WXA8 12/20 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
SCHEMBL7294021 0.80 HTR2C (0.73) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7294783 0.79 HTR1A (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7303643 0.77 HTR2C (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8563750 0.75 HTR3E (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7298411 0.74 HTR2C (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL7298138 0.73 HTR2C (0.74) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8564408 0.71 HTR3E (0.77) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8564122 0.70 HTR3E (0.73) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8565127 0.70 HTR3E (1.00) HTR1AHTR2CHTR3EHTR3BHTR3A
SCHEMBL8570453 0.70 HTR3E (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-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