SCHEMBL7306033

SCHEMBL7306033

c1ccc(-c2cc3nc(N4CCNCC4)c4cccn4c3s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 1.00
HTR1A P08908 9/20 1.00
HTR3E A5X5Y0 4/20 0.61
HTR3B O95264 4/20 0.61
HTR3A P46098 4/20 0.61
HTR3D Q70Z44 4/20 0.61
HTR3C Q8WXA8 4/20 0.61
PRKCI P41743 2/20 0.53
HTR1D P28221 1/20 0.51

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
SCHEMBL7296771 0.86 HTR1A (1.00) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL7298138 0.83 HTR2C (0.74) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL7296823 0.79 HTR2C (0.75) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL7305295 0.78 HTR2C (0.63) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL7296996 0.78 HTR1A (0.69) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL7299090 0.76 HTR1A (1.00) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL7301139 0.72 HTR1A (0.91) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8564852 0.72 HTR2C (0.63) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8562640 0.70 HTR2C (0.69) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8564626 0.70 HTR3E (0.75) HTR2CHTR1AHTR3EHTR3BHTR3A

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