SCHEMBL8567570

SCHEMBL8567570

c1ccc(N2CCN(c3nc4ccccc4n4cccc34)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 11/20 0.67
HTR3B O95264 11/20 0.67
HTR3A P46098 11/20 0.67
HTR3D Q70Z44 11/20 0.67
HTR3C Q8WXA8 11/20 0.67
HTR1A P08908 6/20 0.60
HTR2C P28335 6/20 0.60
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
GRM2 Q14416 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7983246 0.83 MAPT (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7306002 0.83 HTR1A (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569563 0.81 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567791 0.80 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569971 0.80 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796403 0.80 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8571231 0.77 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8568649 0.77 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8565555 0.76 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8566718 0.76 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C

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