SCHEMBL14355877

SCHEMBL14355877

CN1CCN(c2ccccc2Cc2nccn2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA2C P18825 1/20 0.45
BRPF1 P55201 3/20 0.42
BRD9 Q9H8M2 3/20 0.42
BRD4 O60885 2/20 0.42
HTR6 P50406 2/20 0.42
BRD7 Q9NPI1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL14356008 0.87 HTR1A (0.50) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL5343839 0.79 ACHE (0.48)
SCHEMBL14355884 0.79 DRD2 (0.54) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL14355879 0.78 NCF1 (0.50) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL14355865 0.78 BRD9 (0.44) ADRA2CBRPF1BRD9BRD4BRD7
SCHEMBL14355815 0.78 DRD2 (0.51) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL14355878 0.77 NCF1 (0.49) NCF1DRD2DRD3HTR1ADRD4
Sifaprazine SCHEMBL21524898 0.76 NCF1 (0.58) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL14355806 0.76 MC4R (0.50) NCF1DRD2DRD3HTR1ADRD4
SCHEMBL8361520 0.76 DRD2 (0.72) NCF1DRD2DRD3HTR1ADRD4

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
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed