SCHEMBL8117107

SCHEMBL8117107

Cc1cnc2c(N3CCN(C)CC3)nc3ccccc3n12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.70
▸ HTR3B O95264 5/20 0.60
▸ HTR3A P46098 5/20 0.60
▸ HTR3E A5X5Y0 4/20 0.60
▸ HTR3D Q70Z44 4/20 0.60
▸ HTR3C Q8WXA8 4/20 0.60
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL8116881 0.88 HRH4 (0.54) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208503 0.78 HTR3B (0.65) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208427 0.75 HRH4 (0.52) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL8111177 0.75 HTR3E (1.00) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL12225319 0.75 MAPT (0.76) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL406010 0.75 HRH4 (1.00) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208502 0.74 HTR3E (0.62) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208545 0.74 HRH4 (0.54) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208572 0.73 HRH4 (0.59) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL8117461 0.73 TYMS (0.57) MAPTGAATP53

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
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