SCHEMBL3496274

SCHEMBL3496274

CC1CCCN(Cc2coc(-c3ccc(Cn4cnc5ccccc54)cc3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
TNF P01375 1/20 0.41
HRH3 Q9Y5N1 8/20 0.41
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 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
SCHEMBL3496620 0.89 DRD2 (0.51) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3188150 0.88 DRD2 (0.56) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3495975 0.87 DRD2 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3496245 0.87 DRD2 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3495879 0.87 DRD2 (0.55) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3497821 0.86 KMT2A (0.42) DRD2DRD4DRD3HTTSMN1; SMN2
SCHEMBL3499222 0.86 CYP11B1 (0.48) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3496134 0.86 CYP11B1 (0.48) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3497795 0.85 CYP11B1 (0.47) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL3495753 0.85 CYP11B1 (0.47) CYP11B1CYP11B2DRD2DRD4DRD3

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-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed