SCHEMBL8570434

SCHEMBL8570434

C(=Cc1ccccc1)CN1CCN(c2nc3ccccc3n3cccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.74
HTR1A P08908 7/20 0.74
HTR3E A5X5Y0 7/20 0.65
HTR3B O95264 7/20 0.65
HTR3A P46098 7/20 0.65
HTR3D Q70Z44 7/20 0.65
HTR3C Q8WXA8 7/20 0.65
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL8878905 1.00 HTR2C (0.74) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8565965 0.87 HTR1A (0.72) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8565970 0.87 HTR1A (0.72) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8572090 0.83 HTR2C (0.73) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8563750 0.79 HTR3E (1.00) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8567791 0.77 HTR3E (0.74) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8563458 0.77 HTR3E (0.73) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8569563 0.75 HTR3E (0.75) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL8569971 0.74 HTR3E (0.73) HTR2CHTR1AHTR3EHTR3BHTR3A
SCHEMBL2579539 0.73 LMNA (0.72) HTR2CHTR1ALMNAHTTSMN1; SMN2

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
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
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 EP disclosed