SCHEMBL3496503

SCHEMBL3496503

CN1CCN(Cc2coc(-c3ccc(Cn4cnc5ccccc54)cc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD4 P21917 3/20 0.56
DRD3 P35462 3/20 0.56
CYP11B1 P15538 7/20 0.51
CYP11B2 P19099 7/20 0.51
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.46
TNF P01375 1/20 0.46
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3188150 0.91 DRD2 (0.56) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3495975 0.90 DRD2 (0.55) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496245 0.90 DRD2 (0.55) DRD2DRD4DRD3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3495879 0.90 DRD2 (0.55) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496078 0.89 DRD2 (0.54) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496620 0.88 DRD2 (0.51) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3498104 0.85 DRD2 (0.52) DRD2DRD4DRD3HTTSMN1; SMN2
SCHEMBL3496134 0.83 CYP11B1 (0.48) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3499222 0.83 CYP11B1 (0.48) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496274 0.83 CYP11B1 (0.46) DRD2DRD4DRD3CYP11B1CYP11B2

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