SCHEMBL8112977

SCHEMBL8112977

c1ccc2c(c1)nc(N1CCCCC1)c1nccn12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.78
HTR3B O95264 6/20 0.78
HTR3A P46098 6/20 0.78
HTR3D Q70Z44 6/20 0.78
HTR3C Q8WXA8 6/20 0.78
MAPK8 P45983 3/20 0.55
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CREBBP Q92793 1/20 0.52
HTR1A P08908 2/20 0.50
HTR2C P28335 2/20 0.50
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL8111177 0.87 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8110805 0.87 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569971 0.80 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569563 0.78 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8563997 0.78 HTR3E (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29389858 0.78 MAPT (0.76) KDM4EMAPTTSHRHSD17B10ALDH1A1
SCHEMBL17895090 0.77 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11488992 0.74 MAPK8 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8116881 0.73 HRH4 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL120846 0.73 MAPK8 (0.54) 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