SCHEMBL6552760

SCHEMBL6552760

C=CCC1CN(c2ccc3ccccc3c2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR5A P47898 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
DPP4 P27487 2/20 0.40
ADRB1 P08588 3/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 5/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD4 P21917 1/20 0.38
KHK P50053 2/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL1255943 0.80 ADRB1 (0.51) HTR3ASIGMAR1HTR3EHTR3BHTR3D
SCHEMBL6573778 0.77 HTR1A (0.51) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL877827 0.76 ADRB1 (0.40) ADRB1HTR1AHTR1D
SCHEMBL4709116 0.75 SUV39H2 (0.46) ADRB1
SCHEMBL877826 0.73 ADRB1 (0.35) ADRB1
SCHEMBL27616096 0.72 HTR3A (0.55) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL30870394 0.69 HTR3A (1.00) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL3138664 0.69 HTR3A (1.00) HTR3ASIGMAR1HTR3EHTR3BHTR5A
Hydrochloric Acid SCHEMBL29688470 0.68 HTR3A (0.96) HTR3ASIGMAR1HTR3EHTR3BHTR5A
Hydrochloric Acid SCHEMBL15708159 0.68 HTR3A (0.96) HTR3ASIGMAR1HTR3EHTR3BHTR5A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed