SCHEMBL20006948

SCHEMBL20006948

CC(CNCCC1CCc2cc(F)ccc2C1)C1CCc2cc(F)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
SLC6A4 P31645 6/20 0.54
HTR1A P08908 3/20 0.54
HTR2A P28223 3/20 0.54
CHRM1 P11229 2/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
DRD3 P35462 2/20 0.54
HTR2B P41595 2/20 0.54
MLNR O43193 1/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
KCNE1 P15382 1/20 0.54
CNR1 P21554 1/20 0.54
SLC6A2 P23975 1/20 0.54
NPY1R P25929 1/20 0.54
HTR2C P28335 1/20 0.54
AVPR2 P30518 1/20 0.54

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
SCHEMBL14069703 0.84 HTR1A (0.72) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL20006880 0.83 HTR1D (0.45) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL20007096 0.81 DRD2 (0.46) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14590242 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14069708 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL24317251 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL20006747 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14590248 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14590245 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14590246 0.78 HTR1A (0.86) DRD2SLC6A4HTR1AHTR2ACHRM1

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-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed