SCHEMBL8111177

SCHEMBL8111177

CN1CCN(c2nc3ccccc3n3ccnc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 1.00
HTR3B O95264 6/20 1.00
HTR3A P46098 6/20 1.00
HTR3D Q70Z44 6/20 1.00
HTR3C Q8WXA8 6/20 1.00
HTR1A P08908 1/20 0.67
HTR2C P28335 1/20 0.67
HRH4 Q9H3N8 5/20 0.64
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
CREBBP Q92793 1/20 0.52
HSD17B10 Q99714 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
SCHEMBL8112977 0.87 HTR3E (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8110805 0.84 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL405145 0.83 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2469238 0.82 HTR3E (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL404109 0.82 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2470519 0.82 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8562660 0.80 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12225223 0.79 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL461561 0.79 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2467925 0.79 HTR3E (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124287-A TREATING DEPRESSION BIOMEDICA FOSCAMA INDUSTRIA CHIMICOFARMACEUTICA S.P.A. (IT) 2000-09-26 US disclosed
EP-0865442-B1 IMIDAZO[1,2-a]QUINOXALIN-4-AMINES ACTIVE AS ADENOSINE ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FOSCAMA BIOMED CHIM FARMA (IT) 2000-07-05 EP disclosed