SCHEMBL10401412

SCHEMBL10401412

CC(C)Oc1cccc(C2CCNC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.57
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL14999424 0.91 HTR2C (0.69) HTR2C
SCHEMBL1810242 0.83 HTR2C (0.82) HTR2CDRD2DRD3HTR6PDE4B
SCHEMBL8049667 0.83 HTR2C (0.82) HTR2CDRD2DRD3HTR6PDE4B
SCHEMBL8032211 0.83 HTR2C (0.82) HTR2CDRD2DRD3HTR6PDE4B
Hydrochloric Acid SCHEMBL4573066 0.82 HTR2C (0.82) HTR2CDRD2HTR6PDE4B
SCHEMBL24792580 0.79 HTR2C (0.56) HTR2CDRD2DRD3SLC6A2SLC6A4
SCHEMBL30745377 0.79 HTR2C (0.56) HTR2CDRD2DRD3SLC6A2SLC6A4
SCHEMBL8241673 0.77 HTR2C (0.50) HTR2CDRD2DRD3
SCHEMBL3854914 0.77 PLG (0.41) HTR2CDRD2HTR6
SCHEMBL25240758 0.77 HTR2C (0.54) HTR2CDRD2DRD3

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-4957927-A (Diarylmethoxy alkyl)-1-pyrrolidines and piperidines having cardiovascular activity LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-09-18 US disclosed