SCHEMBL9501537

SCHEMBL9501537

NCCc1cn(CCN2CCOCC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
POLB P06746 1/20 0.53
CNR1 P21554 7/20 0.52
CNR2 P34972 6/20 0.52

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
SCHEMBL8757616 0.90 HTR2A (0.55) HTR2APOLBCNR1CNR2
SCHEMBL8757614 0.89 HTR2A (0.54) HTR2APOLBCNR1CNR2
SCHEMBL8546269 0.80 ADRA1D (0.49) HTR2A
SCHEMBL8618152 0.80 ADRA1D (0.49) HTR2ACNR1
SCHEMBL7749067 0.78 HTR2A (0.66) HTR2ACNR1CNR2
SCHEMBL8549631 0.78 ADRA1D (0.49) HTR2A
SCHEMBL19638942 0.77 CNR1 (0.61) CNR1CNR2
SCHEMBL29388220 0.77 CNR1 (0.61) CNR1CNR2
SCHEMBL27816681 0.77 LMNA (0.62) HTR2APOLB
Hydrochloric Acid SCHEMBL20242643 0.77 HTR2A (0.59) HTR2APOLBCNR2

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-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 US disclosed