SCHEMBL22492295

SCHEMBL22492295

OCC(NCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.74
MLNR O43193 1/20 0.74
ADRB2 P07550 1/20 0.74
ADRB1 P08588 1/20 0.74
ADRA2A P08913 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CHRM1 P11229 1/20 0.74
DRD2 P14416 1/20 0.74
KCNE1 P15382 1/20 0.74
ADRA2B P18089 1/20 0.74
ADRA2C P18825 1/20 0.74
CNR1 P21554 1/20 0.74
SLC6A2 P23975 1/20 0.74
NPY1R P25929 1/20 0.74
HTR2A P28223 1/20 0.74
HTR2C P28335 1/20 0.74
AVPR2 P30518 1/20 0.74
SLC6A4 P31645 1/20 0.74
ADRA1A P35348 1/20 0.74
OPRM1 P35372 1/20 0.74

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
Nebivolol SCHEMBL866435 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL20007010 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL2837419 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL3909519 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL7919700 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL8511892 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL12375910 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL8503436 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL13762675 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A
Nebivolol SCHEMBL3791946 0.85 HTR1A (1.00) HTR1AMLNRADRB2ADRB1ADRA2A

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
EP-3716968-A1 SIGMA-1 RECEPTOR AGONIST SYSTOLIC BLOOD PRESSURE THERAPY Anavex Life Sciences Corp. (US) 2020-10-07 EP disclosed